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

Systemtic Name: methyl 2-[[2-oxidanylidene-2-(phenethylamino)ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-oxo-2-(phenethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1,2-dioxo-2-(phenethylamino)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-oxo-2-(phenethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-keto-2-(phenethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-26-20(25)16-14-9-5-6-10-15(14)27-19(16)22-18(24)17(23)21-12-11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,21,23)(H,22,24)