ethyl 3-acetyloxy-5-oxidanylidene-5-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]pentanoate

Systemtic Name: ethyl 3-acetyloxy-5-oxidanylidene-5-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]pentanoate Openeye Name: ethyl 3-acetoxy-5-oxo-5-[[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]pentanoate CAS Name: 3-acetyloxy-5-oxo-5-[[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 3-acetyloxy-5-oxo-5-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]pentanoate Traditional Name: 3-acetoxy-5-keto-5-[[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]amino]valeric acid ethyl ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3)OC(=O)C

Isomeric SMILES

CCOC(=O)CC(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3)OC(=O)C

InChI

InChI=1S/C22H24N2O5S3/c1-3-28-21(27)12-17(29-14(2)25)11-20(26)23-16-4-5-18-19(10-16)32-22(24-18)31-9-7-15-6-8-30-13-15/h4-6,8,10,13,17H,3,7,9,11-12H2,1-2H3,(H,23,26)