methyl 9-(methylsulfanylmethyl)-2,3-dihydro-1-benzoxepine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C(=CC=C2)CSC)OCC1

Isomeric SMILES

COC(=O)C1=CC2=C(C(=CC=C2)CSC)OCC1

InChI

InChI=1S/C14H16O3S/c1-16-14(15)11-6-7-17-13-10(8-11)4-3-5-12(13)9-18-2/h3-5,8H,6-7,9H2,1-2H3