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

Systemtic Name: methyl 5-[2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 5-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H16ClNO5S MolecularWeight: 381.83064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C17H16ClNO5S/c1-22-17(21)13-3-4-15(25-13)19-14(20)9-10-7-11(18)16-12(8-10)23-5-2-6-24-16/h3-4,7-8H,2,5-6,9H2,1H3,(H,19,20)