[2-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(4-methoxy-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[4-methoxy-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(4-methoxy-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CSC3=C2CCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CSC3=C2CCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H26N2O7S2/c1-29-18-7-6-15(12-20(18)33(27,28)24-8-10-30-11-9-24)23-21(25)13-31-22(26)17-14-32-19-5-3-2-4-16(17)19/h6-7,12,14H,2-5,8-11,13H2,1H3,(H,23,25)