(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-(furan-2-ylcarbonylamino)thiophene-2-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-(furan-2-ylcarbonylamino)thiophene-2-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate CAS Name: 5-[[2-furanyl(oxo)methyl]amino]-2-thiophenecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate Traditional Name: 5-(2-furoylamino)thiophene-2-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H16ClNO6S MolecularWeight: 433.86214

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C3=CC=C(S3)NC(=O)C4=CC=CO4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C3=CC=C(S3)NC(=O)C4=CC=CO4)Cl)OC1

InChI

InChI=1S/C20H16ClNO6S/c21-13-9-12(10-15-18(13)27-8-2-7-26-15)11-28-20(24)16-4-5-17(29-16)22-19(23)14-3-1-6-25-14/h1,3-6,9-10H,2,7-8,11H2,(H,22,23)