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

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[2-(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)carbonyloxybutanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-[2-(2-methyl-1-oxo-4-phenyl-isoquinoline-3-carbonyl)oxybutanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)-oxomethoxy]-1-oxobutyl]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)oxybutanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[2-(1-keto-2-methyl-4-phenyl-isoquinoline-3-carbonyl)oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C31H30N2O8S MolecularWeight: 590.6435

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OC)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OC)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C31H30N2O8S/c1-6-21(26(34)32-27-22(29(36)39-5)17(3)25(42-27)31(38)40-7-2)41-30(37)24-23(18-13-9-8-10-14-18)19-15-11-12-16-20(19)28(35)33(24)4/h8-16,21H,6-7H2,1-5H3,(H,32,34)