[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClNO3S/c1-3-18(4-2)23-20(24)13-26-21(25)16-7-5-15(6-8-16)14-27-19-11-9-17(22)10-12-19/h5-12,18H,3-4,13-14H2,1-2H3,(H,23,24)