[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid 1-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl ester Formula: C30H27N3O5S MolecularWeight: 541.61748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)C

InChI

InChI=1S/C30H27N3O5S/c1-5-23(27(34)32-30-31-22-15-14-19(37-4)16-24(22)39-30)38-29(36)26-25(18-12-10-17(2)11-13-18)20-8-6-7-9-21(20)28(35)33(26)3/h6-16,23H,5H2,1-4H3,(H,31,32,34)