ethyl 2-[[2-[(4-methoxyphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidin-3-ylidene]amino]propanoate

Systemtic Name: ethyl 2-[[2-[(4-methoxyphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidin-3-ylidene]amino]propanoate Openeye Name: ethyl 2-[[2-[(4-methoxyphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidin-3-ylidene]amino]propanoate CAS Name: 2-[[1-(3-mercapto-2-methyl-1-oxopropyl)-2-[(4-methoxyphenyl)methyl]-3-pyrrolidinylidene]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-methoxyphenyl)methyl]-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidin-3-ylidene]amino]propanoate Traditional Name: 2-[[1-(3-mercapto-2-methyl-propanoyl)-2-p-anisyl-pyrrolidin-3-ylidene]amino]propionic acid ethyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N=C1CCN(C1CC2=CC=C(C=C2)OC)C(=O)C(C)CS

Isomeric SMILES

CCOC(=O)C(C)N=C1CCN(C1CC2=CC=C(C=C2)OC)C(=O)C(C)CS

InChI

InChI=1S/C21H30N2O4S/c1-5-27-21(25)15(3)22-18-10-11-23(20(24)14(2)13-28)19(18)12-16-6-8-17(26-4)9-7-16/h6-9,14-15,19,28H,5,10-13H2,1-4H3