2-[1-cyclohexyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-cyclohexyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(1-cyclohexyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(1-cyclohexyl-2,5-dioxo-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(1-cyclohexyl-2,5-diketo-pyrrolidin-3-yl)thio]nicotinic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C16H18N2O4S/c19-13-9-12(15(20)18(13)10-5-2-1-3-6-10)23-14-11(16(21)22)7-4-8-17-14/h4,7-8,10,12H,1-3,5-6,9H2,(H,21,22)