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

Systemtic Name: S-[[5-cyano-4-(3-hydroxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]methyl] carbamothioate Openeye Name: S-[[5-cyano-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methyl] carbamothioate CAS Name: carbamothioic acid S-[[5-cyano-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methyl] ester IUPAC Name: S-[[5-cyano-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid S-[[5-cyano-4-(3-hydroxyphenyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]methyl] ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)CSC(=O)N)C#N)C2=CC(=CC=C2)O

Isomeric SMILES

C1C(C(=C(NC1=O)CSC(=O)N)C#N)C2=CC(=CC=C2)O

InChI

InChI=1S/C14H13N3O3S/c15-6-11-10(8-2-1-3-9(18)4-8)5-13(19)17-12(11)7-21-14(16)20/h1-4,10,18H,5,7H2,(H2,16,20)(H,17,19)