ethyl 9-chloranyl-2,3-dihydro-1-benzothiepine-4-carboxylate

Systemtic Name: ethyl 9-chloranyl-2,3-dihydro-1-benzothiepine-4-carboxylate Openeye Name: ethyl 9-chloro-2,3-dihydro-1-benzothiepine-4-carboxylate CAS Name: 9-chloro-2,3-dihydro-1-benzothiepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-chloro-2,3-dihydro-1-benzothiepine-4-carboxylate Traditional Name: 9-chloro-2,3-dihydro-1-benzothiepin-4-carboxylic acid ethyl ester Formula: C13H13ClO2S MolecularWeight: 268.75912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CC=C2)Cl)SCC1

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CC=C2)Cl)SCC1

InChI

InChI=1S/C13H13ClO2S/c1-2-16-13(15)10-6-7-17-12-9(8-10)4-3-5-11(12)14/h3-5,8H,2,6-7H2,1H3