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

Systemtic Name: ethyl 9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-(methylthio)-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-(methylthio)-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CC=C2)SC)OCC1

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CC=C2)SC)OCC1

InChI

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