dimethyl 5-cyano-8,10-dimethyl-4-methylsulfanyl-10aH-pyrido[1,2-d][1,4]thiazepine-1,2-dicarboxylate

Systemtic Name: dimethyl 5-cyano-8,10-dimethyl-4-methylsulfanyl-10aH-pyrido[1,2-d][1,4]thiazepine-1,2-dicarboxylate Openeye Name: dimethyl 5-cyano-8,10-dimethyl-4-methylsulfanyl-10aH-pyrido[1,2-d][1,4]thiazepine-1,2-dicarboxylate CAS Name: 5-cyano-8,10-dimethyl-4-(methylthio)-10aH-pyrido[1,2-d][1,4]thiazepine-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-cyano-8,10-dimethyl-4-methylsulfanyl-10aH-pyrido[1,2-d][1,4]thiazepine-1,2-dicarboxylate Traditional Name: 5-cyano-8,10-dimethyl-4-(methylthio)-10aH-pyrido[1,2-d][1,4]thiazepine-1,2-dicarboxylic acid dimethyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN2C1C(=C(SC(=C2C#N)SC)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CN2C1C(=C(SC(=C2C#N)SC)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C17H18N2O4S2/c1-9-6-10(2)13-12(15(20)22-3)14(16(21)23-4)25-17(24-5)11(7-18)19(13)8-9/h6,8,13H,1-5H3