[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O5S2/c1-3-30-16-9-10-17-19(13-16)33-23(25-17)26-20(27)14-31-22(29)18(11-12-32-2)24-21(28)15-7-5-4-6-8-15/h4-10,13,18H,3,11-12,14H2,1-2H3,(H,24,28)(H,25,26,27)