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

Systemtic Name: 2-[[2-oxidanylidene-2-(phenethylamino)ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C19H19N2O4S- MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H20N2O4S/c22-16(20-11-10-12-6-2-1-3-7-12)17(23)21-18-15(19(24)25)13-8-4-5-9-14(13)26-18/h1-3,6-7H,4-5,8-11H2,(H,20,22)(H,21,23)(H,24,25)/p-1