S-[(E)-2-[methanoyl-[(2-methyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]amino]-5-phosphonooxy-pent-2-en-3-yl] benzenecarbothioate

Systemtic Name: S-[(E)-2-[methanoyl-[(2-methyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]amino]-5-phosphonooxy-pent-2-en-3-yl] benzenecarbothioate Openeye Name: S-[(E)-2-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-1-(2-phosphonooxyethyl)prop-1-enyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(E)-2-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-5-phosphonooxypent-2-en-3-yl] ester IUPAC Name: S-[(E)-2-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(E)-2-[formyl-[(6-keto-2-methyl-1H-pyrimidin-5-yl)methyl]amino]-1-(2-phosphonooxyethyl)prop-1-enyl] ester Formula: C19H22N3O7PS MolecularWeight: 467.432641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=O)N1)CN(C=O)C(=C(CCOP(=O)(O)O)SC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=NC=C(C(=O)N1)CN(C=O)/C(=C(\CCOP(=O)(O)O)/SC(=O)C2=CC=CC=C2)/C

InChI

InChI=1S/C19H22N3O7PS/c1-13(22(12-23)11-16-10-20-14(2)21-18(16)24)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H,20,21,24)(H2,26,27,28)/b17-13+