1-[2-[(3-methylsulfanylphenyl)carbamoylamino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylate

Systemtic Name: 1-[2-[(3-methylsulfanylphenyl)carbamoylamino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylate Openeye Name: 1-[2-[(3-methylsulfanylphenyl)carbamoylamino]acetyl]-5-phenyl-pyrrolidine-2-carboxylate CAS Name: 1-[2-[[[3-(methylthio)anilino]-oxomethyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylate IUPAC Name: 1-[2-[(3-methylsulfanylphenyl)carbamoylamino]acetyl]-5-phenylpyrrolidine-2-carboxylate Traditional Name: 1-[2-[[3-(methylthio)phenyl]carbamoylamino]acetyl]-5-phenyl-pyrrolidine-2-carboxylate Formula: C21H22N3O4S- MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NCC(=O)N2C(CCC2C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NCC(=O)N2C(CCC2C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-29-16-9-5-8-15(12-16)23-21(28)22-13-19(25)24-17(10-11-18(24)20(26)27)14-6-3-2-4-7-14/h2-9,12,17-18H,10-11,13H2,1H3,(H,26,27)(H2,22,23,28)/p-1