(2S)-2-azaniumyl-3-[(3R)-1-cyclohexa-1,3-dien-1-yl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(3R)-1-cyclohexa-1,3-dien-1-yl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[(3R)-1-cyclohexa-1,3-dien-1-yl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-[[(3R)-1-(1-cyclohexa-1,3-dienyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(3R)-1-cyclohexa-1,3-dien-1-yl-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[[(3R)-1-cyclohexa-1,3-dien-1-yl-2,5-diketo-pyrrolidin-3-yl]thio]propionate Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C1)N2C(=O)CC(C2=O)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1CC(=CC=C1)N2C(=O)C[C@H](C2=O)SC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H16N2O4S/c14-9(13(18)19)7-20-10-6-11(16)15(12(10)17)8-4-2-1-3-5-8/h1-2,4,9-10H,3,5-7,14H2,(H,18,19)/t9-,10-/m1/s1