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

Systemtic Name: 2-methoxyethyl 4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C17H23N3O5S2 MolecularWeight: 413.51162

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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S2/c1-24-8-9-25-13(22)7-6-12(21)19-17(26)20-16-14(15(18)23)10-4-2-3-5-11(10)27-16/h2-9H2,1H3,(H2,18,23)(H2,19,20,21,26)