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

Systemtic Name: methyl 6-[3-(3-cyclopentylpropanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[3-(3-cyclopentylpropanoylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[(3-cyclopentyl-1-oxopropyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-(3-cyclopentylpropanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(3-cyclopentylpropanoylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-4-26-15(2)20(22(28)29-3)21(25-23(26)30)17-10-7-11-18(14-17)24-19(27)13-12-16-8-5-6-9-16/h7,10-11,14,16,21H,4-6,8-9,12-13H2,1-3H3,(H,24,27)(H,25,30)