[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: [2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoate Openeye Name: [2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]acetic acid [2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]acetic acid [2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CSCC2=CSC(=N2)C)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CSCC2=CSC(=N2)C)N3CCCC3

InChI

InChI=1S/C20H25N3O3S2/c1-14-9-16(5-6-18(14)23-7-3-4-8-23)22-19(24)10-26-20(25)13-27-11-17-12-28-15(2)21-17/h5-6,9,12H,3-4,7-8,10-11,13H2,1-2H3,(H,22,24)