[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-(4-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(4-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C16H17ClN2O5S2 MolecularWeight: 416.89958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H17ClN2O5S2/c1-11-9-12(17)4-5-13(11)19-14(20)10-24-15(21)6-7-18-26(22,23)16-3-2-8-25-16/h2-5,8-9,18H,6-7,10H2,1H3,(H,19,20)