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

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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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=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H15N3O3S2/c1-12(18(24)21-14-6-4-5-13(9-14)10-20)25-17(23)11-26-19-22-15-7-2-3-8-16(15)27-19/h2-9,12H,11H2,1H3,(H,21,24)/t12-/m1/s1