[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic 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-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N

InChI

InChI=1S/C19H15N3O4S/c1-11(23)12-7-14(21-9-12)19(25)26-10-16(24)13(8-20)18-22(2)15-5-3-4-6-17(15)27-18/h3-7,9,21H,10H2,1-2H3/b18-13-