propan-2-yl 2-(1,3-benzothiazol-6-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-(1,3-benzothiazol-6-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1,3-benzothiazole-6-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-4-(methylthio)butyric acid isopropyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=O)C1=CC2=C(C=C1)N=CS2

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C16H20N2O3S2/c1-10(2)21-16(20)13(6-7-22-3)18-15(19)11-4-5-12-14(8-11)23-9-17-12/h4-5,8-10,13H,6-7H2,1-3H3,(H,18,19)