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

Systemtic Name: 2-[[6-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[3-(2-methyl-4-nitro-1-imidazolyl)-1-oxopropyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[3-(2-methyl-4-nitroimidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C18H19N5O5S2 MolecularWeight: 449.50396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O5S2/c1-11-19-16(23(26)27)10-22(11)6-5-17(25)20-13-3-4-14-15(9-13)30-18(21-14)29-8-7-28-12(2)24/h3-4,9-10H,5-8H2,1-2H3,(H,20,25)