methyl 4-[[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H23N3O4S/c1-4-5-15-10-16(23)22-19(21-15)27-12(2)17(24)20-11-13-6-8-14(9-7-13)18(25)26-3/h6-10,12H,4-5,11H2,1-3H3,(H,20,24)(H,21,22,23)