(phenylmethyl) 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]ethanoate Openeye Name: benzyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]acetate CAS Name: 2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]acetate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylamino]acetic acid benzyl ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO3S/c20-16-8-10-17(11-9-16)25-12-4-7-18(22)21-13-19(23)24-14-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,22)