[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N)C

InChI

InChI=1S/C21H21N3O3S/c1-4-7-14-10-19(28-13(14)2)21(26)27-12-18(25)15(11-22)20-23-16-8-5-6-9-17(16)24(20)3/h5-6,8-10,23H,4,7,12H2,1-3H3/b20-15+