methyl 4,7-dimethyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate

Systemtic Name: methyl 4,7-dimethyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate Openeye Name: methyl 4,7-dimethyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate CAS Name: 4,7-dimethyl-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 4,7-dimethyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate Traditional Name: 5-keto-4,7-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:

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

Isomeric SMILES

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

InChI

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