[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H15N3O4S/c1-12(18(24)21-14-6-4-5-13(9-14)10-20)25-17(23)11-27-19-22-15-7-2-3-8-16(15)26-19/h2-9,12H,11H2,1H3,(H,21,24)