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

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S2/c1-29-12-11-16(22-19(26)14-7-3-2-4-8-14)20(27)28-13-18(25)24-21-23-15-9-5-6-10-17(15)30-21/h2-10,16H,11-13H2,1H3,(H,22,26)(H,23,24,25)