O2-[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester O4-isopropyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OC(C)C)C

InChI

InChI=1S/C19H21N3O5S/c1-9(2)27-18(24)15-11(4)16(22-12(15)5)19(25)26-7-14(23)13(6-20)17-21-10(3)8-28-17/h8-9,13,22H,7H2,1-5H3/t13-/m1/s1