[2-[1,3-benzothiazol-2-yl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[1,3-benzothiazol-2-yl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[N-(1,3-benzothiazol-2-yl)-4-methyl-anilino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[N-(1,3-benzothiazol-2-yl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(1,3-benzothiazol-2-yl)-4-methylanilino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[N-(1,3-benzothiazol-2-yl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C24H17N3O3S MolecularWeight: 427.47508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H17N3O3S/c1-16-9-11-19(12-10-16)27(24-26-20-7-2-3-8-21(20)31-24)22(28)15-30-23(29)18-6-4-5-17(13-18)14-25/h2-13H,15H2,1H3