ethyl 6-[3-(cyclopentylcarbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[3-(cyclopentylcarbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(cyclopentanecarbonylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[cyclopentyl(oxo)methyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(cyclopentanecarbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(cyclopentanecarbonylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3CCCC3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3CCCC3)C(=O)OCC)C

InChI

InChI=1S/C22H29N3O3S/c1-4-25-14(3)18(21(27)28-5-2)19(24-22(25)29)16-11-8-12-17(13-16)23-20(26)15-9-6-7-10-15/h8,11-13,15,19H,4-7,9-10H2,1-3H3,(H,23,26)(H,24,29)