methyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-cyanoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-cyanophenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C#N

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C#N

InChI

InChI=1S/C13H13N3O3S/c1-19-12(18)7-6-11(17)16-13(20)15-10-5-3-2-4-9(10)8-14/h2-5H,6-7H2,1H3,(H2,15,16,17,20)