methyl (2S)-4-methylsulfanyl-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[4-(4-nitrophenyl)thiazol-2-yl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[4-(4-nitrophenyl)-2-thiazolyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[4-(4-nitrophenyl)thiazol-2-yl]amino]butyric acid methyl ester Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CCSC)NC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4S2/c1-22-14(19)12(7-8-23-2)16-15-17-13(9-24-15)10-3-5-11(6-4-10)18(20)21/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)/t12-/m0/s1