2-[(3-acetamidophenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: 2-[(3-acetamidophenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: 2-[(3-acetamidobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-acetamidophenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate IUPAC Name: 2-[(3-acetamidobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(3-acetamidobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Formula: C19H19N2O4S- MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)[O-]

InChI

InChI=1S/C19H20N2O4S/c1-11(22)20-13-7-5-6-12(10-13)17(23)21-18-16(19(24)25)14-8-3-2-4-9-15(14)26-18/h5-7,10H,2-4,8-9H2,1H3,(H,20,22)(H,21,23)(H,24,25)/p-1