ethyl 7-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 7-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 7-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 7-(methylthio)-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 7-(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)10-6-7-17-13-5-4-12(18-2)9-11(13)8-10/h4-5,8-9H,3,6-7H2,1-2H3