ethyl 3-oxidanyl-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylate

Systemtic Name: ethyl 3-oxidanyl-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylate Openeye Name: ethyl 3-hydroxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylate CAS Name: 3-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylate Traditional Name: 3-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid ethyl ester Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCC3=C(C=CC(=C3)O)SC2=CC=C1

Isomeric SMILES

CCOC(=O)C1=C2CCC3=C(C=CC(=C3)O)SC2=CC=C1

InChI

InChI=1S/C17H16O3S/c1-2-20-17(19)14-4-3-5-16-13(14)8-6-11-10-12(18)7-9-15(11)21-16/h3-5,7,9-10,18H,2,6,8H2,1H3