(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]acetic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H23N3O5S/c1-14-10-17(22-28-14)21-18(24)12-29-13-19(25)27-11-15-4-6-16(7-5-15)20(26)23-8-2-3-9-23/h4-7,10H,2-3,8-9,11-13H2,1H3,(H,21,22,24)