methyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4-methyl-benzoate CAS Name: 3-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4-methylbenzoate Traditional Name: 3-[4-[(4-chlorophenyl)thio]butanoylamino]-4-methyl-benzoic acid methyl ester Formula: C19H20ClNO3S MolecularWeight: 377.885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO3S/c1-13-5-6-14(19(23)24-2)12-17(13)21-18(22)4-3-11-25-16-9-7-15(20)8-10-16/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)