methyl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C21H19N3O4S2/c1-11-15(17(24-28-11)12-7-4-3-5-8-12)18(25)22-21(29)23-19-16(20(26)27-2)13-9-6-10-14(13)30-19/h3-5,7-8H,6,9-10H2,1-2H3,(H2,22,23,25,29)