[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(4-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=C(C=C1)C#N)OC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

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

InChI

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