2-methoxyethyl 4-[(3-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(3-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(3-cyanophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(3-cyanophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-cyanophenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C#N

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C#N

InChI

InChI=1S/C15H17N3O4S/c1-21-7-8-22-14(20)6-5-13(19)18-15(23)17-12-4-2-3-11(9-12)10-16/h2-4,9H,5-8H2,1H3,(H2,17,18,19,23)