[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [(3E)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [(3E)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [(3E)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C/C(=O)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C26H30N2O4S/c1-26(2)20-12-8-9-13-22(20)28(3)23(26)16-19(29)17-32-25(31)21(14-15-33-4)27-24(30)18-10-6-5-7-11-18/h5-13,16,21H,14-15,17H2,1-4H3,(H,27,30)/b23-16+