[2-(butylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S2/c1-2-3-12-22-19(24)13-26-20(25)16-10-8-15(9-11-16)14-27-21-23-17-6-4-5-7-18(17)28-21/h4-11H,2-3,12-14H2,1H3,(H,22,24)