[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]coumarilic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C22H22ClNO4S MolecularWeight: 431.93238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClNO4S/c1-3-14(2)24-20(25)12-27-22(26)21-18(17-6-4-5-7-19(17)28-21)13-29-16-10-8-15(23)9-11-16/h4-11,14H,3,12-13H2,1-2H3,(H,24,25)