2-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]amino]-4,5-dimethoxybenzoate IUPAC Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[(4-chlorobenzyl)thio]acetyl]amino]-4,5-dimethoxy-benzoate Formula: C18H17ClNO5S- MolecularWeight: 394.84928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)CSCC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)CSCC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C18H18ClNO5S/c1-24-15-7-13(18(22)23)14(8-16(15)25-2)20-17(21)10-26-9-11-3-5-12(19)6-4-11/h3-8H,9-10H2,1-2H3,(H,20,21)(H,22,23)/p-1