dimethyl 3-(diethylamino)-4-methyl-5-methylsulfanyl-6-phenyl-benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 3-(diethylamino)-4-methyl-5-methylsulfanyl-6-phenyl-benzene-1,2-dicarboxylate Openeye Name: dimethyl 3-(diethylamino)-4-methyl-5-methylsulfanyl-6-phenyl-benzene-1,2-dicarboxylate CAS Name: 3-(diethylamino)-4-methyl-5-(methylthio)-6-phenylbenzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(diethylamino)-4-methyl-5-methylsulfanyl-6-phenylbenzene-1,2-dicarboxylate Traditional Name: 3-(diethylamino)-4-methyl-5-(methylthio)-6-phenyl-benzene-1,2-dicarboxylic acid dimethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=C(C(=C1C)SC)C2=CC=CC=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCN(CC)C1=C(C(=C(C(=C1C)SC)C2=CC=CC=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H27NO4S/c1-7-23(8-2)19-14(3)20(28-6)16(15-12-10-9-11-13-15)17(21(24)26-4)18(19)22(25)27-5/h9-13H,7-8H2,1-6H3