S-[[5-cyano-4-(2-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]methyl] carbamothioate

Systemtic Name: S-[[5-cyano-4-(2-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]methyl] carbamothioate Openeye Name: S-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methyl] carbamothioate CAS Name: carbamothioic acid S-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methyl] ester IUPAC Name: S-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid S-[[5-cyano-2-keto-4-(2-methoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]methyl] ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=O)NC(=C2C#N)CSC(=O)N

Isomeric SMILES

COC1=CC=CC=C1C2CC(=O)NC(=C2C#N)CSC(=O)N

InChI

InChI=1S/C15H15N3O3S/c1-21-13-5-3-2-4-9(13)10-6-14(19)18-12(11(10)7-16)8-22-15(17)20/h2-5,10H,6,8H2,1H3,(H2,17,20)(H,18,19)