methyl (2R)-4-methyl-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]pentanoate Traditional Name: (2R)-4-methyl-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5S2/c1-9(2)6-12(15(21)24-3)17-14(20)8-25-16-18-11-5-4-10(19(22)23)7-13(11)26-16/h4-5,7,9,12H,6,8H2,1-3H3,(H,17,20)/t12-/m1/s1