7-[(5-chloranylthiophen-2-yl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 7-[(5-chloranylthiophen-2-yl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[(5-chlorothiophene-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[(5-chlorothiophene-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-[(5-chlorothiophene-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C15H11ClNO5S- MolecularWeight: 352.76954

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)[O-])NC(=O)C3=CC=C(S3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)[O-])NC(=O)C3=CC=C(S3)Cl)OC1

InChI

InChI=1S/C15H12ClNO5S/c16-13-3-2-12(23-13)14(18)17-9-7-11-10(6-8(9)15(19)20)21-4-1-5-22-11/h2-3,6-7H,1,4-5H2,(H,17,18)(H,19,20)/p-1