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

Systemtic Name: ethyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-cyanoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-cyanophenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c1-2-20-13(19)8-7-12(18)17-14(21)16-11-6-4-3-5-10(11)9-15/h3-6H,2,7-8H2,1H3,(H2,16,17,18,21)