[1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-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-propan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-[[4-(4-ethoxyphenyl)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-(4-ethoxyphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[4-(4-ethoxyphenyl)-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-1-methyl-2-[(4-p-phenetylthiazol-2-yl)amino]ethyl] ester Formula: C31H27N3O5S MolecularWeight: 553.62818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

InChI

InChI=1S/C31H27N3O5S/c1-4-38-22-16-14-20(15-17-22)25-18-40-31(32-25)33-28(35)19(2)39-30(37)27-26(21-10-6-5-7-11-21)23-12-8-9-13-24(23)29(36)34(27)3/h5-19H,4H2,1-3H3,(H,32,33,35)