methyl 2-[[6-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[3-(2-methyl-4-nitro-1-imidazolyl)-1-oxopropyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[3-(2-methyl-4-nitroimidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C17H17N5O5S2 MolecularWeight: 435.47738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5S2/c1-10-18-14(22(25)26)8-21(10)6-5-15(23)19-11-3-4-12-13(7-11)29-17(20-12)28-9-16(24)27-2/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,23)