methyl 4-thiophen-2-yl-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate

Systemtic Name: methyl 4-thiophen-2-yl-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate Openeye Name: methyl 4-(2-thienyl)-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate CAS Name: 4-thiophen-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl 4-thiophen-2-yl-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate Traditional Name: 4-(2-thienyl)-5,7-dihydrobenzo[d][2]benzoxepin-7-carboxylic acid methyl ester Formula: C20H16O3S MolecularWeight: 336.40424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=CC=CC=C2C3=C(CO1)C(=CC=C3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1C2=CC=CC=C2C3=C(CO1)C(=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H16O3S/c1-22-20(21)19-16-7-3-2-6-13(16)14-8-4-9-15(17(14)12-23-19)18-10-5-11-24-18/h2-11,19H,12H2,1H3