methyl 4-[[methyl-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoyl]amino]methyl]benzoate Traditional Name: 4-[[3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propanoyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N(C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N(C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H23N3O4S/c1-12-15(17(24)21-19(20-12)27-4)9-10-16(23)22(2)11-13-5-7-14(8-6-13)18(25)26-3/h5-8H,9-11H2,1-4H3,(H,20,21,24)