O-(4-methoxyphenyl) N-[(5R,6S,7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-7-(dimethylamino)-5-methyl-1,6,10a,12-tetrakis(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]carbamothioate

Systemtic Name: O-(4-methoxyphenyl) N-[(5R,6S,7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-7-(dimethylamino)-5-methyl-1,6,10a,12-tetrakis(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]carbamothioate Openeye Name: O-(4-methoxyphenyl) N-[(5R,6S,7S,9Z,10aS)-9-[amino(hydroxy)methylene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]carbamothioate CAS Name: N-[(5R,6S,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]carbamothioic acid O-(4-methoxyphenyl) ester IUPAC Name: O-(4-methoxyphenyl) N-[(5R,6S,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]carbamothioate Traditional Name: N-[(5R,6S,7S,9Z,10aS)-9-[amino(hydroxy)methylene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-8,10,11-triketo-5-methyl-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]thiocarbamic acid O-(4-methoxyphenyl) ester Formula: C30H31N3O10S MolecularWeight: 625.64624

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC(=C4O)NC(=S)OC5=CC=C(C=C5)OC)O)O)N(C)C)O

Isomeric SMILES

C[C@@H]1C2[C@@H](C3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC(=C4O)NC(=S)OC5=CC=C(C=C5)OC)O)O)N(C)C)O

InChI

InChI=1S/C30H31N3O10S/c1-11-14-9-10-15(32-29(44)43-13-7-5-12(42-4)6-8-13)22(34)17(14)23(35)18-16(11)24(36)20-21(33(2)3)25(37)19(28(31)40)27(39)30(20,41)26(18)38/h5-11,16,20-21,24,34-36,40-41H,31H2,1-4H3,(H,32,44)/b28-19-/t11-,16?,20?,21-,24-,30-/m0/s1