cyanomethyl 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: cyanomethyl 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: cyanomethyl 2-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-methoxyanilino)-2-oxoethyl]thio]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(m-anisidino)ethyl]thio]benzoic acid cyanomethyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC#N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC#N

InChI

InChI=1S/C18H16N2O4S/c1-23-14-6-4-5-13(11-14)20-17(21)12-25-16-8-3-2-7-15(16)18(22)24-10-9-19/h2-8,11H,10,12H2,1H3,(H,20,21)