methyl 4-methyl-8-methylsulfanyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate

Systemtic Name: methyl 4-methyl-8-methylsulfanyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate Openeye Name: methyl 4-methyl-8-methylsulfanyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate CAS Name: 4-methyl-8-(methylthio)-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-8-methylsulfanyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate Traditional Name: 5-keto-4-methyl-8-(methylthio)-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester Formula: C14H16O3S2 MolecularWeight: 296.40504

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2=C(CC(S1)C(=O)OC)C=C(C=C2)SC

Isomeric SMILES

CC1C(=O)C2=C(CC(S1)C(=O)OC)C=C(C=C2)SC

InChI

InChI=1S/C14H16O3S2/c1-8-13(15)11-5-4-10(18-3)6-9(11)7-12(19-8)14(16)17-2/h4-6,8,12H,7H2,1-3H3