methyl 4-[3-[(3S)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 4-[3-[(3S)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 4-[3-[(3S)-2,5-dioxo-1-phenyl-pyrrolidin-3-yl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[[(3S)-2,5-dioxo-1-phenyl-3-pyrrolidinyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[[(3S)-2,5-diketo-1-phenyl-pyrrolidin-3-yl]thio]propanoylamino]benzoic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCSC2CC(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCS[C@H]2CC(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-28-21(27)14-7-9-15(10-8-14)22-18(24)11-12-29-17-13-19(25)23(20(17)26)16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3,(H,22,24)/t17-/m0/s1