methyl 7-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]heptanoate

Systemtic Name: methyl 7-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]heptanoate Openeye Name: methyl 7-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]heptanoate CAS Name: 7-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]heptanoate Traditional Name: 7-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]enanthic acid methyl ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)CSCC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCCCCNC(=O)CSCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H24N2O3S2/c1-23-18(22)10-4-2-3-7-11-19-16(21)12-24-13-17-20-14-8-5-6-9-15(14)25-17/h5-6,8-9H,2-4,7,10-13H2,1H3,(H,19,21)