tert-butyl 2-[5-[4-(5-cyano-1,3-thiazol-2-yl)phenyl]-1-methanoyl-2-oxidanylidene-pyrrolidin-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-[4-(5-cyano-1,3-thiazol-2-yl)phenyl]-1-methanoyl-2-oxidanylidene-pyrrolidin-3-yl]ethanoate Openeye Name: tert-butyl 2-[5-[4-(5-cyanothiazol-2-yl)phenyl]-1-formyl-2-oxo-pyrrolidin-3-yl]acetate CAS Name: 2-[5-[4-(5-cyano-2-thiazolyl)phenyl]-1-formyl-2-oxo-3-pyrrolidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-[4-(5-cyano-1,3-thiazol-2-yl)phenyl]-1-formyl-2-oxopyrrolidin-3-yl]acetate Traditional Name: 2-[5-[4-(5-cyanothiazol-2-yl)phenyl]-1-formyl-2-keto-pyrrolidin-3-yl]acetic acid tert-butyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CC(N(C1=O)C=O)C2=CC=C(C=C2)C3=NC=C(S3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CC1CC(N(C1=O)C=O)C2=CC=C(C=C2)C3=NC=C(S3)C#N

InChI

InChI=1S/C21H21N3O4S/c1-21(2,3)28-18(26)9-15-8-17(24(12-25)20(15)27)13-4-6-14(7-5-13)19-23-11-16(10-22)29-19/h4-7,11-12,15,17H,8-9H2,1-3H3