[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C23H15N3O3S MolecularWeight: 413.4485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H15N3O3S/c24-13-15-7-1-4-10-18(15)25-21(27)14-29-23(28)17-9-3-2-8-16(17)22-26-19-11-5-6-12-20(19)30-22/h1-12H,14H2,(H,25,27)