1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2,4-dichlorobenzoyl)amino]-4-(methylthio)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18Cl2N2O3S2 MolecularWeight: 469.40452

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CSCCC(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H18Cl2N2O3S2/c1-28-9-8-16(24-19(25)13-7-6-12(21)10-14(13)22)20(26)27-11-18-23-15-4-2-3-5-17(15)29-18/h2-7,10,16H,8-9,11H2,1H3,(H,24,25)