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

Systemtic Name: 3-[2-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)amino]-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-[(5-ethoxy-2-methyl-coumaran-6-yl)amino]-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)CSC3=NC(=O)C(=C(N3)C)CCC(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)CSC3=NC(=O)C(=C(N3)C)CCC(=O)O

InChI

InChI=1S/C21H25N3O6S/c1-4-29-17-8-13-7-11(2)30-16(13)9-15(17)23-18(25)10-31-21-22-12(3)14(20(28)24-21)5-6-19(26)27/h8-9,11H,4-7,10H2,1-3H3,(H,23,25)(H,26,27)(H,22,24,28)