2-[[6-[3-(2-methylimidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[3-(2-methylimidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[3-(2-methylimidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[3-(2-methyl-1-imidazolyl)-1-oxopropyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[3-(2-methylimidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[3-(2-methylimidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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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

Isomeric SMILES

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOC(=O)C

InChI

InChI=1S/C18H20N4O3S2/c1-12-19-6-8-22(12)7-5-17(24)20-14-3-4-15-16(11-14)27-18(21-15)26-10-9-25-13(2)23/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,20,24)