3-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-chlorobenzyl)thio]acetyl]amino]benzoate Formula: C16H13ClNO3S- MolecularWeight: 334.79732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C16H14ClNO3S/c17-13-6-4-11(5-7-13)9-22-10-15(19)18-14-3-1-2-12(8-14)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)/p-1