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

Systemtic Name: [1-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-[[4-(3-methoxyphenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl] 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-[[4-(3-methoxyphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [2-keto-2-[[4-(3-methoxyphenyl)thiazol-2-yl]amino]-1-methyl-ethyl] ester Formula: C30H25N3O5S MolecularWeight: 539.6016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)OC)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)OC)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

InChI

InChI=1S/C30H25N3O5S/c1-18(27(34)32-30-31-24(17-39-30)20-12-9-13-21(16-20)37-3)38-29(36)26-25(19-10-5-4-6-11-19)22-14-7-8-15-23(22)28(35)33(26)2/h4-18H,1-3H3,(H,31,32,34)