methyl 5-methyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylate

Systemtic Name: methyl 5-methyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylate Openeye Name: methyl 5-methyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylate CAS Name: 5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylate Traditional Name: 5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxylic acid methyl ester Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCSC2=C1C=CC(=C2)C(=O)OC

Isomeric SMILES

CC1CCCSC2=C1C=CC(=C2)C(=O)OC

InChI

InChI=1S/C13H16O2S/c1-9-4-3-7-16-12-8-10(13(14)15-2)5-6-11(9)12/h5-6,8-9H,3-4,7H2,1-2H3