tert-butyl 3-acetamido-4-oxidanylidene-4-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]butanoate

Systemtic Name: tert-butyl 3-acetamido-4-oxidanylidene-4-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]butanoate Openeye Name: tert-butyl 3-acetamido-4-oxo-4-[[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]butanoate CAS Name: 3-acetamido-4-oxo-4-[[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-oxo-4-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]butanoate Traditional Name: 3-acetamido-4-keto-4-[[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]amino]butyric acid tert-butyl ester Formula: C23H27N3O4S3 MolecularWeight: 505.67318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S3/c1-14(27)24-18(12-20(28)30-23(2,3)4)21(29)25-16-5-6-17-19(11-16)33-22(26-17)32-10-8-15-7-9-31-13-15/h5-7,9,11,13,18H,8,10,12H2,1-4H3,(H,24,27)(H,25,29)