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

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H24N2O6S2/c24-20(14-29-21(25)19-12-15-4-1-2-7-18(15)30-19)22-16-5-3-6-17(13-16)31(26,27)23-8-10-28-11-9-23/h3,5-6,12-13H,1-2,4,7-11,14H2,(H,22,24)