ethyl 2,6-dimethyl-5-[(methylsulfanylcarbothioylamino)carbamoyl]pyridine-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-5-[(methylsulfanylcarbothioylamino)carbamoyl]pyridine-3-carboxylate Openeye Name: ethyl 2,6-dimethyl-5-[(methylsulfanylcarbothioylamino)carbamoyl]pyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-[[[(methylthio)-sulfanylidenemethyl]hydrazo]-oxomethyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,6-dimethyl-5-[(methylsulfanylcarbothioylamino)carbamoyl]pyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-[[(methylthio)carbothioylamino]carbamoyl]nicotinic acid ethyl ester Formula: C13H17N3O3S2 MolecularWeight: 327.42238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C(=O)NNC(=S)SC)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C(=O)NNC(=S)SC)C)C

InChI

InChI=1S/C13H17N3O3S2/c1-5-19-12(18)10-6-9(7(2)14-8(10)3)11(17)15-16-13(20)21-4/h6H,5H2,1-4H3,(H,15,17)(H,16,20)