methyl 4-[2-[(6-oxidanylidene-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(6-oxidanylidene-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 4-[2-[(6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[(6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 4-[2-[(6-keto-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(CC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(CC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-13(19(26)22-16-10-8-15(9-11-16)20(27)28-2)29-21-23-17(12-18(25)24-21)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,22,26)(H,23,24,25)