ethyl 4-[(3-chloranyl-2-phenylsulfanyl-butanoyl)amino]benzoate

Systemtic Name: ethyl 4-[(3-chloranyl-2-phenylsulfanyl-butanoyl)amino]benzoate Openeye Name: ethyl 4-[(3-chloro-2-phenylsulfanyl-butanoyl)amino]benzoate CAS Name: 4-[[3-chloro-1-oxo-2-(phenylthio)butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-2-phenylsulfanylbutanoyl)amino]benzoate Traditional Name: 4-[[3-chloro-2-(phenylthio)butanoyl]amino]benzoic acid ethyl ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)Cl)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)Cl)SC2=CC=CC=C2

InChI

InChI=1S/C19H20ClNO3S/c1-3-24-19(23)14-9-11-15(12-10-14)21-18(22)17(13(2)20)25-16-7-5-4-6-8-16/h4-13,17H,3H2,1-2H3,(H,21,22)