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

Systemtic Name: 7-(2-thiophen-2-ylethanoylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[[2-(2-thienyl)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(2-thiophen-2-ylacetyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[[2-(2-thienyl)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)CC3=CC=CS3)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)CC3=CC=CS3)OC1

InChI

InChI=1S/C16H15NO5S/c18-15(7-10-3-1-6-23-10)17-12-9-14-13(8-11(12)16(19)20)21-4-2-5-22-14/h1,3,6,8-9H,2,4-5,7H2,(H,17,18)(H,19,20)