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

Systemtic Name: ethyl 6-[4-(3-cyclopentylpropanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-(3-cyclopentylpropanoylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[(3-cyclopentyl-1-oxopropyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(3-cyclopentylpropanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(3-cyclopentylpropanoylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)CCC3CCCC3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)CCC3CCCC3)C(=O)OCC)C

InChI

InChI=1S/C24H33N3O3S/c1-4-27-16(3)21(23(29)30-5-2)22(26-24(27)31)18-11-13-19(14-12-18)25-20(28)15-10-17-8-6-7-9-17/h11-14,17,22H,4-10,15H2,1-3H3,(H,25,28)(H,26,31)