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

Systemtic Name: methyl 3-oxidanylidene-4,5-dihydro-1-benzothiepine-2-carboxylate Openeye Name: methyl 3-oxo-4,5-dihydro-1-benzothiepine-2-carboxylate CAS Name: 3-oxo-4,5-dihydro-1-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-4,5-dihydro-1-benzothiepine-2-carboxylate Traditional Name: 3-keto-4,5-dihydro-1-benzothiepin-2-carboxylic acid methyl ester Formula: C12H12O3S MolecularWeight: 236.28688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)CCC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)C1C(=O)CCC2=CC=CC=C2S1

InChI

InChI=1S/C12H12O3S/c1-15-12(14)11-9(13)7-6-8-4-2-3-5-10(8)16-11/h2-5,11H,6-7H2,1H3