ethyl 9-methylsulfanyl-5-oxidanylidene-3,4-dihydro-2H-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-methylsulfanyl-5-oxidanylidene-3,4-dihydro-2H-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-methylsulfanyl-5-oxo-3,4-dihydro-2H-1-benzoxepine-4-carboxylate CAS Name: 9-(methylthio)-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-methylsulfanyl-5-oxo-3,4-dihydro-2H-1-benzoxepine-4-carboxylate Traditional Name: 5-keto-9-(methylthio)-3,4-dihydro-2H-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCOC2=C(C1=O)C=CC=C2SC

Isomeric SMILES

CCOC(=O)C1CCOC2=C(C1=O)C=CC=C2SC

InChI

InChI=1S/C14H16O4S/c1-3-17-14(16)10-7-8-18-13-9(12(10)15)5-4-6-11(13)19-2/h4-6,10H,3,7-8H2,1-2H3