methyl 2-[[2-(2-methylpropylamino)-2-oxidanylidene-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(2-methylpropylamino)-2-oxidanylidene-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(isobutylamino)-2-oxo-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-methylpropylamino)-1,2-dioxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylpropylamino)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(isobutylamino)-2-keto-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C16H22N2O4S/c1-9(2)8-17-13(19)14(20)18-15-12(16(21)22-3)10-6-4-5-7-11(10)23-15/h9H,4-8H2,1-3H3,(H,17,19)(H,18,20)