3-[(3R)-1-(2,6-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpropanoate

Systemtic Name: 3-[(3R)-1-(2,6-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpropanoate Openeye Name: 3-[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpropanoate CAS Name: 3-[[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoate IUPAC Name: 3-[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate Traditional Name: 3-[[(3R)-1-(2,6-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionate Formula: C15H16NO4S- MolecularWeight: 306.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)SCCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C[C@H](C2=O)SCCC(=O)[O-]

InChI

InChI=1S/C15H17NO4S/c1-9-4-3-5-10(2)14(9)16-12(17)8-11(15(16)20)21-7-6-13(18)19/h3-5,11H,6-8H2,1-2H3,(H,18,19)/p-1/t11-/m1/s1