ethyl 2-chloranyl-4-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 4-[(2-benzylsulfanylacetyl)amino]-2-chloro-benzoate CAS Name: 2-chloro-4-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzylsulfanylacetyl)amino]-2-chlorobenzoate Traditional Name: 4-[[2-(benzylthio)acetyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=O)CSCC2=CC=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)CSCC2=CC=CC=C2)Cl

InChI

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