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

Systemtic Name: [2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-[[4-(4-ethoxyphenyl)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-(4-ethoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-ethoxyphenyl)-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-keto-2-[(4-p-phenetylthiazol-2-yl)amino]ethyl] ester Formula: C30H25N3O5S MolecularWeight: 539.6016

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H25N3O5S/c1-3-37-21-15-13-19(14-16-21)24-18-39-30(31-24)32-25(34)17-38-29(36)27-26(20-9-5-4-6-10-20)22-11-7-8-12-23(22)28(35)33(27)2/h4-16,18H,3,17H2,1-2H3,(H,31,32,34)