2-[(3S)-2,5-bis(oxidanylidene)-1-(4-piperidin-1-ylphenyl)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[(3S)-2,5-bis(oxidanylidene)-1-(4-piperidin-1-ylphenyl)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(3S)-2,5-dioxo-1-[4-(1-piperidyl)phenyl]pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[(3S)-2,5-dioxo-1-[4-(1-piperidinyl)phenyl]-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(3S)-2,5-dioxo-1-(4-piperidin-1-ylphenyl)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[(3S)-2,5-diketo-1-(4-piperidinophenyl)pyrrolidin-3-yl]thio]nicotinic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)N3C(=O)C[C@@H](C3=O)SC4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C21H21N3O4S/c25-18-13-17(29-19-16(21(27)28)5-4-10-22-19)20(26)24(18)15-8-6-14(7-9-15)23-11-2-1-3-12-23/h4-10,17H,1-3,11-13H2,(H,27,28)/t17-/m0/s1