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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2CC(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CS[C@H]2CC(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-13-8-9-14(21(27)28-2)10-16(13)22-18(24)12-29-17-11-19(25)23(20(17)26)15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H,22,24)/t17-/m0/s1