methyl 3-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(2-anilino-2-oxo-ethyl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(2-anilino-2-oxoethyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-anilino-2-oxoethyl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(2-anilino-2-keto-ethyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O4S/c1-24-18(23)13-6-5-9-15(10-13)20-17(22)12-25-11-16(21)19-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,21)(H,20,22)