ethyl 2-azanyl-6-methyl-5-[(E)-1-methylsulfanyl-1-(phenylsulfamoyl)prop-1-en-2-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-6-methyl-5-[(E)-1-methylsulfanyl-1-(phenylsulfamoyl)prop-1-en-2-yl]pyridine-3-carboxylate Openeye Name: ethyl 2-amino-6-methyl-5-[(E)-1-methyl-2-methylsulfanyl-2-(phenylsulfamoyl)vinyl]pyridine-3-carboxylate CAS Name: 2-amino-6-methyl-5-[(E)-1-(methylthio)-1-(phenylsulfamoyl)prop-1-en-2-yl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-methyl-5-[(E)-1-methylsulfanyl-1-(phenylsulfamoyl)prop-1-en-2-yl]pyridine-3-carboxylate Traditional Name: 2-amino-6-methyl-5-[(E)-1-methyl-2-(methylthio)-2-(phenylsulfamoyl)vinyl]nicotinic acid ethyl ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C(=C(SC)S(=O)(=O)NC2=CC=CC=C2)C)C)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)/C(=C(\SC)/S(=O)(=O)NC2=CC=CC=C2)/C)C)N

InChI

InChI=1S/C19H23N3O4S2/c1-5-26-18(23)16-11-15(13(3)21-17(16)20)12(2)19(27-4)28(24,25)22-14-9-7-6-8-10-14/h6-11,22H,5H2,1-4H3,(H2,20,21)/b19-12+