[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C18H13N3O3S/c1-11(17(22)21-14-4-2-3-12(7-14)9-19)24-18(23)13-5-6-15-16(8-13)25-10-20-15/h2-8,10-11H,1H3,(H,21,22)/t11-/m1/s1