ethyl 4-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazinyl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazinyl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazino]-4-oxo-butanoate CAS Name: 4-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-ethyl-6-methylphenyl)carbamothioyl]hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]hydrazino]-4-keto-butyric acid ethyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCC(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCC(=O)OCC)C

InChI

InChI=1S/C16H23N3O3S/c1-4-12-8-6-7-11(3)15(12)17-16(23)19-18-13(20)9-10-14(21)22-5-2/h6-8H,4-5,9-10H2,1-3H3,(H,18,20)(H2,17,19,23)