methyl (2R)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-3-sulfanyl-propanoate

Systemtic Name: methyl (2R)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-3-sulfanyl-propanoate Openeye Name: methyl (2R)-2-[[4-(4-nitrophenyl)thiazol-2-yl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[4-(4-nitrophenyl)-2-thiazolyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[4-(4-nitrophenyl)thiazol-2-yl]amino]propionic acid methyl ester Formula: C13H13N3O4S2 MolecularWeight: 339.39002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S2/c1-20-12(17)10(6-21)14-13-15-11(7-22-13)8-2-4-9(5-3-8)16(18)19/h2-5,7,10,21H,6H2,1H3,(H,14,15)/t10-/m0/s1