methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]propanoate CAS Name: 3-[[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[[(4-chlorophenyl)thio]methyl]benzoyl]amino]propionic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-23-17(21)10-11-20-18(22)14-4-2-13(3-5-14)12-24-16-8-6-15(19)7-9-16/h2-9H,10-12H2,1H3,(H,20,22)