5-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-6-methyl-2-[(1R)-1-phenylethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-6-methyl-2-[(1R)-1-phenylethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]-6-methyl-2-[(1R)-1-phenylethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-6-methyl-2-[[(1R)-1-phenylethyl]thio]-4-pyrimidinolate IUPAC Name: 5-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-6-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-[2-(4-carbomethoxyanilino)-2-keto-ethyl]-6-methyl-2-[[(1R)-1-phenylethyl]thio]pyrimidin-4-olate Formula: C23H22N3O4S- MolecularWeight: 436.50348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC(C)C2=CC=CC=C2)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)S[C@H](C)C2=CC=CC=C2)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H23N3O4S/c1-14-19(13-20(27)25-18-11-9-17(10-12-18)22(29)30-3)21(28)26-23(24-14)31-15(2)16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3,(H,25,27)(H,24,26,28)/p-1/t15-/m1/s1