methyl 7-chloranyl-9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: methyl 7-chloranyl-9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: methyl 7-chloro-9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 7-chloro-9-(methylthio)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 7-chloro-9-(methylthio)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester Formula: C13H13ClO3S MolecularWeight: 284.75852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC(=CC(=C2OCC1)SC)Cl

Isomeric SMILES

COC(=O)C1=CC2=CC(=CC(=C2OCC1)SC)Cl

InChI

InChI=1S/C13H13ClO3S/c1-16-13(15)8-3-4-17-12-9(5-8)6-10(14)7-11(12)18-2/h5-7H,3-4H2,1-2H3