methyl 7-methyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate

Systemtic Name: methyl 7-methyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate Openeye Name: methyl 7-methyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate CAS Name: 7-methyl-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 7-methyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate Traditional Name: 5-keto-7-methyl-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(SCC2=O)C(=O)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CC(SCC2=O)C(=O)OC)C=C1

InChI

InChI=1S/C13H14O3S/c1-8-3-4-9-6-12(13(15)16-2)17-7-11(14)10(9)5-8/h3-5,12H,6-7H2,1-2H3