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

Systemtic Name: 2-[[6-[3-(acetamidomethylsulfanyl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[3-(acetamidomethylsulfanyl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[3-(acetamidomethylthio)-1-oxopropyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[3-(acetamidomethylsulfanyl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[3-(acetamidomethylthio)propanoylamino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C17H21N3O4S3 MolecularWeight: 427.56134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCOC(=O)C

Isomeric SMILES

CC(=O)NCSCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCOC(=O)C

InChI

InChI=1S/C17H21N3O4S3/c1-11(21)18-10-25-7-5-16(23)19-13-3-4-14-15(9-13)27-17(20-14)26-8-6-24-12(2)22/h3-4,9H,5-8,10H2,1-2H3,(H,18,21)(H,19,23)