methyl 3-ethyl-4-methyl-2-oxidanylidene-6-[3-(2-thiophen-2-ylethanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-ethyl-4-methyl-2-oxidanylidene-6-[3-(2-thiophen-2-ylethanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-ethyl-4-methyl-2-oxo-6-[3-[[2-(2-thienyl)acetyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-2-oxo-6-[3-[(1-oxo-2-thiophen-2-ylethyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-4-methyl-2-oxo-6-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-methyl-6-[3-[[2-(2-thienyl)acetyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC3=CC=CS3)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC3=CC=CS3)C(=O)OC)C

InChI

InChI=1S/C21H23N3O4S/c1-4-24-13(2)18(20(26)28-3)19(23-21(24)27)14-7-5-8-15(11-14)22-17(25)12-16-9-6-10-29-16/h5-11,19H,4,12H2,1-3H3,(H,22,25)(H,23,27)