methyl 3-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propanoylamino]-3-phenyl-propionic 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)NC(CC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-12-14(18(25)22-19(20-12)27-3)9-10-16(23)21-15(11-17(24)26-2)13-7-5-4-6-8-13/h4-8,15H,9-11H2,1-3H3,(H,21,23)(H,20,22,25)