[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=CC2=NSN=C21)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)OCC(=O)NC1=CC=CC2=NSN=C21)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4S2/c1-29-11-10-16(22-19(26)13-6-3-2-4-7-13)20(27)28-12-17(25)21-14-8-5-9-15-18(14)24-30-23-15/h2-9,16H,10-12H2,1H3,(H,21,25)(H,22,26)/t16-/m0/s1