[2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(1-benzamido-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C25H24N2O4S2/c1-16-14-21(17(2)27(16)26-23(29)18-6-4-3-5-7-18)22(28)15-31-24(30)19-8-10-20(11-9-19)25-32-12-13-33-25/h3-11,14,25H,12-13,15H2,1-2H3,(H,26,29)