[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic 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] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N)C

InChI

InChI=1S/C21H21N3O3S/c1-5-24-13(2)10-15(14(24)3)21(26)27-12-18(25)16(11-22)20-23(4)17-8-6-7-9-19(17)28-20/h6-10H,5,12H2,1-4H3/b20-16-