ethyl 2,3-dihydro-1-benzothiepine-4-carboxylate

Systemtic Name: ethyl 2,3-dihydro-1-benzothiepine-4-carboxylate Openeye Name: ethyl 2,3-dihydro-1-benzothiepine-4-carboxylate CAS Name: 2,3-dihydro-1-benzothiepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2,3-dihydro-1-benzothiepine-4-carboxylate Traditional Name: 2,3-dihydro-1-benzothiepin-4-carboxylic acid ethyl ester Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC=CC=C2SCC1

Isomeric SMILES

CCOC(=O)C1=CC2=CC=CC=C2SCC1

InChI

InChI=1S/C13H14O2S/c1-2-15-13(14)11-7-8-16-12-6-4-3-5-10(12)9-11/h3-6,9H,2,7-8H2,1H3