methyl 4-[3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 4-[3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-2,5-diketo-pyrrolidino]benzoic acid methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C20H17N3O4S/c1-11-8-12(2)22-18(15(11)10-21)28-16-9-17(24)23(19(16)25)14-6-4-13(5-7-14)20(26)27-3/h4-8,16H,9H2,1-3H3