ethyl 9-[2,5-bis(chloranyl)thiophen-3-yl]-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-[2,5-bis(chloranyl)thiophen-3-yl]-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-(2,5-dichloro-3-thienyl)-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-(2,5-dichloro-3-thiophenyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-(2,5-dichloro-3-thienyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C17H14Cl2O3S MolecularWeight: 369.26226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC=CC(=C2OCC1)C3=C(SC(=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=CC=CC(=C2OCC1)C3=C(SC(=C3)Cl)Cl

InChI

InChI=1S/C17H14Cl2O3S/c1-2-21-17(20)11-6-7-22-15-10(8-11)4-3-5-12(15)13-9-14(18)23-16(13)19/h3-5,8-9H,2,6-7H2,1H3