methyl 2-[[4-(4-cyclopentyloxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-(4-cyclopentyloxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-[4-(cyclopentoxy)-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 2-[[[4-(4-cyclopentyloxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-cyclopentyloxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 2-[[4-[4-(cyclopentoxy)-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC3CCCC3)OC)C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC3CCCC3)OC)C(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C26H29N3O5S/c1-15-22(24(30)28-19-11-7-6-10-18(19)25(31)33-3)23(29-26(35)27-15)16-12-13-20(21(14-16)32-2)34-17-8-4-5-9-17/h6-7,10-14,17,23H,4-5,8-9H2,1-3H3,(H,28,30)(H2,27,29,35)