2-methylpropyl 5-(4-ethylphenyl)-2,7-dimethyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 5-(4-ethylphenyl)-2,7-dimethyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: isobutyl 5-(4-ethylphenyl)-2,7-dimethyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 5-(4-ethylphenyl)-2,7-dimethyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-(4-ethylphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(4-ethylphenyl)-3-keto-2,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid isobutyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(S3)C)C)C(=O)OCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(S3)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C21H26N2O3S/c1-6-15-7-9-16(10-8-15)18-17(20(25)26-11-12(2)3)13(4)22-21-23(18)19(24)14(5)27-21/h7-10,12,14,18H,6,11H2,1-5H3