2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(1-oxo-4-phenoxybutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C19H20NO4S- MolecularWeight: 358.4314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCOC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCOC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H21NO4S/c21-16(11-6-12-24-13-7-2-1-3-8-13)20-18-17(19(22)23)14-9-4-5-10-15(14)25-18/h1-3,7-8H,4-6,9-12H2,(H,20,21)(H,22,23)/p-1