O2-ethyl O4-methyl 3-methyl-5-[2-(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)carbonyloxyethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[2-(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)carbonyloxyethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-[[2-(2-methyl-1-oxo-4-phenyl-isoquinoline-3-carbonyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)-oxomethoxy]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 3-methyl-5-[[2-(2-methyl-1-oxo-4-phenylisoquinoline-3-carbonyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1-keto-2-methyl-4-phenyl-isoquinoline-3-carbonyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C29H26N2O8S MolecularWeight: 562.59034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C29H26N2O8S/c1-5-38-29(36)24-16(2)21(27(34)37-4)25(40-24)30-20(32)15-39-28(35)23-22(17-11-7-6-8-12-17)18-13-9-10-14-19(18)26(33)31(23)3/h6-14H,5,15H2,1-4H3,(H,30,32)