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

Systemtic Name: [1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[[4-(4-ethoxyphenyl)thiazol-2-yl]carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-[[4-(4-ethoxyphenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[(4-p-phenetylthiazol-2-yl)carbamoyl]propyl ester Formula: C32H29N3O5S MolecularWeight: 567.65476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H29N3O5S/c1-4-26(29(36)34-32-33-25(19-41-32)20-15-17-22(18-16-20)39-5-2)40-31(38)28-27(21-11-7-6-8-12-21)23-13-9-10-14-24(23)30(37)35(28)3/h6-19,26H,4-5H2,1-3H3,(H,33,34,36)