3-[2-[2-[2,5-dihydrothiophen-3-ylmethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate

Systemtic Name: 3-[2-[2-[2,5-dihydrothiophen-3-ylmethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: 3-[2-[2-[N-(2,5-dihydrothiophen-3-ylmethyl)anilino]-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[2-[[2-[N-(2,5-dihydrothiophen-3-ylmethyl)anilino]-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate IUPAC Name: 3-[2-[2-[N-(2,5-dihydrothiophen-3-ylmethyl)anilino]-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[2-[[2-[N-(2,5-dihydrothiophen-3-ylmethyl)anilino]-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionate Formula: C21H22N3O4S2- MolecularWeight: 444.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)N(CC2=CCSC2)C3=CC=CC=C3)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)N(CC2=CCSC2)C3=CC=CC=C3)CCC(=O)[O-]

InChI

InChI=1S/C21H23N3O4S2/c1-14-17(7-8-19(26)27)20(28)23-21(22-14)30-13-18(25)24(11-15-9-10-29-12-15)16-5-3-2-4-6-16/h2-6,9H,7-8,10-13H2,1H3,(H,26,27)(H,22,23,28)/p-1