methyl 7-chloranyl-5-methylsulfanyl-thieno[2,3-b][1,4]benzoxazepine-2-carboxylate

Systemtic Name: methyl 7-chloranyl-5-methylsulfanyl-thieno[2,3-b][1,4]benzoxazepine-2-carboxylate Openeye Name: methyl 7-chloro-5-methylsulfanyl-thieno[2,3-b][1,4]benzoxazepine-2-carboxylate CAS Name: 7-chloro-5-(methylthio)-2-thieno[2,3-b][1,4]benzoxazepinecarboxylic acid methyl ester IUPAC Name: methyl 7-chloro-5-methylsulfanylthieno[2,3-b][1,4]benzoxazepine-2-carboxylate Traditional Name: 7-chloro-5-(methylthio)thieno[2,3-b][1,4]benzoxazepine-2-carboxylic acid methyl ester Formula: C14H10ClNO3S2 MolecularWeight: 339.8171

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)OC3=C(C=C(C=C3)Cl)C(=N2)SC

Isomeric SMILES

COC(=O)C1=CC2=C(S1)OC3=C(C=C(C=C3)Cl)C(=N2)SC

InChI

InChI=1S/C14H10ClNO3S2/c1-18-13(17)11-6-9-14(21-11)19-10-4-3-7(15)5-8(10)12(16-9)20-2/h3-6H,1-2H3