2-[(3-acetamidophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[(3-acetamidophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[(3-acetamidobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-acetamidophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(3-acetamidobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-acetamidobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c1-10(21)19-12-6-4-5-11(9-12)16(22)20-17-15(18(23)24)13-7-2-3-8-14(13)25-17/h4-6,9H,2-3,7-8H2,1H3,(H,19,21)(H,20,22)(H,23,24)/p-1