ethyl 3-[2,5-dimethyl-3-[(E)-(thiophen-2-ylcarbonylhydrazinylidene)methyl]pyrrol-1-yl]benzoate

Systemtic Name: ethyl 3-[2,5-dimethyl-3-[(E)-(thiophen-2-ylcarbonylhydrazinylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: ethyl 3-[2,5-dimethyl-3-[(E)-(thiophene-2-carbonylhydrazono)methyl]pyrrol-1-yl]benzoate CAS Name: 3-[2,5-dimethyl-3-[(E)-[[oxo(thiophen-2-yl)methyl]hydrazinylidene]methyl]-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2,5-dimethyl-3-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 3-[2,5-dimethyl-3-[(E)-(2-thenoylhydrazono)methyl]pyrrol-1-yl]benzoic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)/C=N/NC(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H21N3O3S/c1-4-27-21(26)16-7-5-8-18(12-16)24-14(2)11-17(15(24)3)13-22-23-20(25)19-9-6-10-28-19/h5-13H,4H2,1-3H3,(H,23,25)/b22-13+