methyl (2S)-2-(2-indazol-1-ylethanoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-(2-indazol-1-ylethanoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(2-indazol-1-ylacetyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(1-indazolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-indazol-1-ylacetyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-indazol-1-ylacetyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CN1C2=CC=CC=C2C=N1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CN1C2=CC=CC=C2C=N1

InChI

InChI=1S/C15H19N3O3S/c1-21-15(20)12(7-8-22-2)17-14(19)10-18-13-6-4-3-5-11(13)9-16-18/h3-6,9,12H,7-8,10H2,1-2H3,(H,17,19)/t12-/m0/s1