7-(3-thiophen-2-ylpropanoylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-(3-thiophen-2-ylpropanoylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[3-(2-thienyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[(1-oxo-3-thiophen-2-ylpropyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-(3-thiophen-2-ylpropanoylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[3-(2-thienyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)CCC3=CC=CS3)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)CCC3=CC=CS3)OC1

InChI

InChI=1S/C17H17NO5S/c19-16(5-4-11-3-1-8-24-11)18-13-10-15-14(9-12(13)17(20)21)22-6-2-7-23-15/h1,3,8-10H,2,4-7H2,(H,18,19)(H,20,21)