(2S)-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-methyl-2-phenyl-5-thiazolyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]-4-(methylthio)butyrate Formula: C16H17N2O3S2- MolecularWeight: 349.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C16H18N2O3S2/c1-10-13(14(19)18-12(16(20)21)8-9-22-2)23-15(17-10)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,18,19)(H,20,21)/p-1/t12-/m0/s1