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

Systemtic Name: 2-[(3S)-1-cyclohexyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[(3S)-1-cyclohexyl-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[(3S)-1-cyclohexyl-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[(3S)-1-cyclohexyl-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[(3S)-1-cyclohexyl-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCC(CC1)N2C(=O)C[C@@H](C2=O)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H19NO4S/c19-15-10-14(16(20)18(15)11-6-2-1-3-7-11)23-13-9-5-4-8-12(13)17(21)22/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,21,22)/t14-/m0/s1