ethyl 3-chloranyl-4-(2-phenylsulfanylpropanoylamino)benzoate

Systemtic Name: ethyl 3-chloranyl-4-(2-phenylsulfanylpropanoylamino)benzoate Openeye Name: ethyl 3-chloro-4-(2-phenylsulfanylpropanoylamino)benzoate CAS Name: 3-chloro-4-[[1-oxo-2-(phenylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-(2-phenylsulfanylpropanoylamino)benzoate Traditional Name: 3-chloro-4-[2-(phenylthio)propanoylamino]benzoic acid ethyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO3S/c1-3-23-18(22)13-9-10-16(15(19)11-13)20-17(21)12(2)24-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,20,21)