methyl 5-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]thiophene-2-carboxylate CAS Name: 5-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C16H14ClNO5S MolecularWeight: 367.80406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C16H14ClNO5S/c1-21-16(20)12-3-4-13(24-12)18-15(19)9-7-10(17)14-11(8-9)22-5-2-6-23-14/h3-4,7-8H,2,5-6H2,1H3,(H,18,19)