(3S)-3-(6-butyl-3-pentanoyl-pyridin-2-yl)sulfanyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-(6-butyl-3-pentanoyl-pyridin-2-yl)sulfanyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[(6-butyl-3-pentanoyl-2-pyridyl)sulfanyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[[6-butyl-3-(1-oxopentyl)-2-pyridinyl]thio]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(6-butyl-3-pentanoylpyridin-2-yl)sulfanyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[(6-butyl-3-valeryl-2-pyridyl)thio]-1-(4-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C(=O)CCCC)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C(=O)CCCC)S[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H30N2O4S/c1-4-6-8-17-10-15-20(21(28)9-7-5-2)24(26-17)32-22-16-23(29)27(25(22)30)18-11-13-19(31-3)14-12-18/h10-15,22H,4-9,16H2,1-3H3/t22-/m0/s1