3-[(2S)-2-[oxidanyl(diphenyl)methyl]pyrrolidin-1-yl]-4-sulfanyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(2S)-2-[oxidanyl(diphenyl)methyl]pyrrolidin-1-yl]-4-sulfanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-4-sulfanyl-cyclobut-3-ene-1,2-dione CAS Name: 3-[(2S)-2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl]-4-mercaptocyclobut-3-ene-1,2-dione IUPAC Name: 3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-4-sulfanylcyclobut-3-ene-1,2-dione Traditional Name: 3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidino]-4-mercapto-cyclobut-3-ene-1,2-quinone Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=O)C2=O)S)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

C1C[C@H](N(C1)C2=C(C(=O)C2=O)S)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C21H19NO3S/c23-18-17(20(26)19(18)24)22-13-7-12-16(22)21(25,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,25-26H,7,12-13H2/t16-/m0/s1