4-methyl-5-oxidanyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylate

Systemtic Name: 4-methyl-5-oxidanyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylate Openeye Name: 5-hydroxy-4-methyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylate CAS Name: 5-hydroxy-4-methyl-5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylate IUPAC Name: 5-hydroxy-4-methyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylate Traditional Name: 5-hydroxy-4-methyl-5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylate Formula: C16H13O3S- MolecularWeight: 285.33762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CC3=CC=CC=C3SC2=CC(=C1)C(=O)[O-])O

Isomeric SMILES

CC1=C2C(CC3=CC=CC=C3SC2=CC(=C1)C(=O)[O-])O

InChI

InChI=1S/C16H14O3S/c1-9-6-11(16(18)19)8-14-15(9)12(17)7-10-4-2-3-5-13(10)20-14/h2-6,8,12,17H,7H2,1H3,(H,18,19)/p-1