[1-[(6-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-ethoxy-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-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl ester Formula: C31H29N3O5S MolecularWeight: 555.64406

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H29N3O5S/c1-5-24(28(35)33-31-32-23-16-15-20(38-6-2)17-25(23)40-31)39-30(37)27-26(19-13-11-18(3)12-14-19)21-9-7-8-10-22(21)29(36)34(27)4/h7-17,24H,5-6H2,1-4H3,(H,32,33,35)