3-[2-[2-[(2-methoxycarbonylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[2-[(2-methoxycarbonylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(2-methoxycarbonyl-N-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(2-carbomethoxy-N-methyl-anilino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)N(C)C2=CC=CC=C2C(=O)OC)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)N(C)C2=CC=CC=C2C(=O)OC)CCC(=O)O

InChI

InChI=1S/C19H21N3O6S/c1-11-12(8-9-16(24)25)17(26)21-19(20-11)29-10-15(23)22(2)14-7-5-4-6-13(14)18(27)28-3/h4-7H,8-10H2,1-3H3,(H,24,25)(H,20,21,26)