4-[(4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-6-thiophen-2-yl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid

Systemtic Name: 4-[(4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-6-thiophen-2-yl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid Openeye Name: 4-[[5-benzyloxycarbonyl-4-methyl-2-oxo-6-(2-thienyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[(4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-thiophen-2-yl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid IUPAC Name: 4-[(4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-thiophen-2-yl-1,6-dihydropyrimidin-3-yl)methyl]benzoic acid Traditional Name: 4-[[5-carbobenzoxy-2-keto-4-methyl-6-(2-thienyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O5S/c1-16-21(24(30)32-15-18-6-3-2-4-7-18)22(20-8-5-13-33-20)26-25(31)27(16)14-17-9-11-19(12-10-17)23(28)29/h2-13,22H,14-15H2,1H3,(H,26,31)(H,28,29)