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

Systemtic Name: methyl 2-[[2-(2-azanylethylamino)-2-oxidanylidene-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-aminoethylamino)-2-oxo-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-aminoethylamino)-1,2-dioxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-aminoethylamino)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-aminoethylamino)-2-keto-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NCCN

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NCCN

InChI

InChI=1S/C14H19N3O4S/c1-21-14(20)10-8-4-2-3-5-9(8)22-13(10)17-12(19)11(18)16-7-6-15/h2-7,15H2,1H3,(H,16,18)(H,17,19)