methyl 7,8-dimethyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate

Systemtic Name: methyl 7,8-dimethyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate Openeye Name: methyl 7,8-dimethyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate CAS Name: 7,8-dimethyl-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 7,8-dimethyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate Traditional Name: 5-keto-7,8-dimethyl-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC(SCC2=O)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CC(SCC2=O)C(=O)OC)C

InChI

InChI=1S/C14H16O3S/c1-8-4-10-6-13(14(16)17-3)18-7-12(15)11(10)5-9(8)2/h4-5,13H,6-7H2,1-3H3