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

Systemtic Name: ethyl 2,6-dimethyl-5-[(prop-2-enylsulfanylcarbothioylamino)carbamoyl]pyridine-3-carboxylate Openeye Name: ethyl 5-[(allylsulfanylcarbothioylamino)carbamoyl]-2,6-dimethyl-pyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-[oxo-[[(prop-2-enylthio)-sulfanylidenemethyl]hydrazo]methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,6-dimethyl-5-[(prop-2-enylsulfanylcarbothioylamino)carbamoyl]pyridine-3-carboxylate Traditional Name: 5-[[(allylthio)carbothioylamino]carbamoyl]-2,6-dimethyl-nicotinic acid ethyl ester Formula: C15H19N3O3S2 MolecularWeight: 353.45966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S2/c1-5-7-23-15(22)18-17-13(19)11-8-12(14(20)21-6-2)10(4)16-9(11)3/h5,8H,1,6-7H2,2-4H3,(H,17,19)(H,18,22)