[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [1-[5-(acetamidomethyl)-2-thiophenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(S1)CNC(=O)C)OC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)C1=CC=C(S1)CNC(=O)C)OC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S2/c1-13(21(26)18-11-10-15(28-18)12-22-14(2)24)27-20(25)9-5-8-19-23-16-6-3-4-7-17(16)29-19/h3-4,6-7,10-11,13H,5,8-9,12H2,1-2H3,(H,22,24)