[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C17H11N3O3S MolecularWeight: 337.35254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H11N3O3S/c18-9-11-5-7-12(8-6-11)16(22)23-10-15(21)20-17-19-13-3-1-2-4-14(13)24-17/h1-8H,10H2,(H,19,20,21)