methyl (2S)-2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(5-chloro-2-pyridyl)carbamothioylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-chloropyridin-2-yl)carbamothioylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(5-chloro-2-pyridyl)thiocarbamoylamino]-3-methyl-butyric acid methyl ester Formula: C12H16ClN3O2S MolecularWeight: 301.79234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=S)NC1=NC=C(C=C1)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=S)NC1=NC=C(C=C1)Cl

InChI

InChI=1S/C12H16ClN3O2S/c1-7(2)10(11(17)18-3)16-12(19)15-9-5-4-8(13)6-14-9/h4-7,10H,1-3H3,(H2,14,15,16,19)/t10-/m0/s1