[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [2-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C30H25N3O6S MolecularWeight: 555.601

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)NC4=NC(=CS4)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)NC4=NC(=CS4)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C30H25N3O6S/c1-33-27(26(18-9-5-4-6-10-18)20-11-7-8-12-21(20)28(33)35)29(36)39-16-25(34)32-30-31-22(17-40-30)19-13-14-23(37-2)24(15-19)38-3/h4-15,17H,16H2,1-3H3,(H,31,32,34)