[2-[2-(4-methylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate Openeye Name: [2-[2-(4-methylbenzoyl)hydrazino]-2-oxo-ethyl] 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [2-[[(4-methylphenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl] 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid [2-keto-2-(N'-p-toluoylhydrazino)ethyl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=C(C=CS2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=C(C=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4S/c1-14-7-9-16(10-8-14)20(25)23-22-18(24)13-27-21(26)19-17(11-12-28-19)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,23,25)