methyl 4-methyl-3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C18H21N3O4S/c1-4-5-13-9-15(22)21-18(19-13)26-10-16(23)20-14-8-12(17(24)25-3)7-6-11(14)2/h6-9H,4-5,10H2,1-3H3,(H,20,23)(H,19,21,22)