2-azanyl-3-[1-(2,5-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[1-(2,5-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[1-(2,5-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[1-(2,5-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[1-(2,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[1-(2,5-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CC(C2=O)SCC(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CC(C2=O)SCC(C(=O)O)N

InChI

InChI=1S/C15H18N2O4S/c1-8-3-4-9(2)11(5-8)17-13(18)6-12(14(17)19)22-7-10(16)15(20)21/h3-5,10,12H,6-7,16H2,1-2H3,(H,20,21)