[2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(2-methoxy-4-morpholinosulfonyl-anilino)-2-oxo-ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[2-methoxy-4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid [2-keto-2-(2-methoxy-4-morpholinosulfonyl-anilino)ethyl] ester Formula: C27H29N3O10S2 MolecularWeight: 619.66326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=C(C=C3NC(=O)C4=CC=CS4)OC)OC

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=C(C=C3NC(=O)C4=CC=CS4)OC)OC

InChI

InChI=1S/C27H29N3O10S2/c1-36-21-13-17(42(34,35)30-8-10-39-11-9-30)6-7-19(21)28-25(31)16-40-27(33)18-14-22(37-2)23(38-3)15-20(18)29-26(32)24-5-4-12-41-24/h4-7,12-15H,8-11,16H2,1-3H3,(H,28,31)(H,29,32)