2-methoxyethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C#N

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C#N

InChI

InChI=1S/C17H21N3O4S2/c1-23-8-9-24-15(22)7-6-14(21)19-17(25)20-16-12(10-18)11-4-2-3-5-13(11)26-16/h2-9H2,1H3,(H2,19,20,21,25)