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

Systemtic Name: methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-methylbenzoate Traditional Name: 3-[3-[(4-chlorophenyl)thio]propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-12-3-4-13(18(22)23-2)11-16(12)20-17(21)9-10-24-15-7-5-14(19)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,20,21)