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

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[2-(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)carbonyloxypropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-[2-(2-methyl-1-oxo-4-phenyl-isoquinoline-3-carbonyl)oxypropanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)-oxomethoxy]-1-oxopropyl]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)oxypropanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[2-(1-keto-2-methyl-4-phenyl-isoquinoline-3-carbonyl)oxypropanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C30H28N2O8S MolecularWeight: 576.61692

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H28N2O8S/c1-6-39-30(37)24-16(2)21(28(35)38-5)26(41-24)31-25(33)17(3)40-29(36)23-22(18-12-8-7-9-13-18)19-14-10-11-15-20(19)27(34)32(23)4/h7-15,17H,6H2,1-5H3,(H,31,33)