[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C16H16N2O6S2/c17-15(21)12-6-8-25-16(12)18-13(19)10-24-14(20)7-9-26(22,23)11-4-2-1-3-5-11/h1-6,8H,7,9-10H2,(H2,17,21)(H,18,19)