[[(2S)-1-methylimino-4-methylsulfanyl-butan-2-yl]amino] pyridine-3-carboxylate

Systemtic Name: [[(2S)-1-methylimino-4-methylsulfanyl-butan-2-yl]amino] pyridine-3-carboxylate Openeye Name: [[(1S)-1-(methyliminomethyl)-3-methylsulfanyl-propyl]amino] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [[(2S)-1-methylimino-4-(methylthio)butan-2-yl]amino] ester IUPAC Name: [[(2S)-1-methylimino-4-methylsulfanylbutan-2-yl]amino] pyridine-3-carboxylate Traditional Name: nicotinic acid [[(1S)-1-(methyliminomethyl)-3-(methylthio)propyl]amino] ester Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CN=CC(CCSC)NOC(=O)C1=CN=CC=C1

Isomeric SMILES

CN=C[C@H](CCSC)NOC(=O)C1=CN=CC=C1

InChI

InChI=1S/C12H17N3O2S/c1-13-9-11(5-7-18-2)15-17-12(16)10-4-3-6-14-8-10/h3-4,6,8-9,11,15H,5,7H2,1-2H3/t11-/m0/s1