[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 4-pyrrol-1-ylbenzoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C23H17N3O3S/c1-25-19-6-2-3-7-21(19)30-22(25)18(14-24)20(27)15-29-23(28)16-8-10-17(11-9-16)26-12-4-5-13-26/h2-13H,15H2,1H3/b22-18-