1-[2-[(3-methylsulfanylphenyl)carbamoylamino]ethanoyl]-5-phenyl-pyrrolidine-2,4-dicarboxylate

Systemtic Name: 1-[2-[(3-methylsulfanylphenyl)carbamoylamino]ethanoyl]-5-phenyl-pyrrolidine-2,4-dicarboxylate Openeye Name: 1-[2-[(3-methylsulfanylphenyl)carbamoylamino]acetyl]-5-phenyl-pyrrolidine-2,4-dicarboxylate CAS Name: 1-[2-[[[3-(methylthio)anilino]-oxomethyl]amino]-1-oxoethyl]-5-phenylpyrrolidine-2,4-dicarboxylate IUPAC Name: 1-[2-[(3-methylsulfanylphenyl)carbamoylamino]acetyl]-5-phenylpyrrolidine-2,4-dicarboxylate Traditional Name: 1-[2-[[3-(methylthio)phenyl]carbamoylamino]acetyl]-5-phenyl-pyrrolidine-2,4-dicarboxylate Formula: C22H21N3O6S-2 MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NCC(=O)N2C(CC(C2C3=CC=CC=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NCC(=O)N2C(CC(C2C3=CC=CC=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H23N3O6S/c1-32-15-9-5-8-14(10-15)24-22(31)23-12-18(26)25-17(21(29)30)11-16(20(27)28)19(25)13-6-3-2-4-7-13/h2-10,16-17,19H,11-12H2,1H3,(H,27,28)(H,29,30)(H2,23,24,31)/p-2