[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-methylsulfanyl-benzoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-methylsulfanyl-benzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-amino-3-methylsulfanyl-benzoate CAS Name: 4-amino-3-(methylthio)benzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-amino-3-methylsulfanylbenzoate Traditional Name: 4-amino-3-(methylthio)benzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC(=C(C=C2)N)SC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC(=C(C=C2)N)SC

InChI

InChI=1S/C18H17N3O3S/c1-11(17(22)21-15-6-4-3-5-13(15)10-19)24-18(23)12-7-8-14(20)16(9-12)25-2/h3-9,11H,20H2,1-2H3,(H,21,22)