methyl 4-[[2-[[6-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[[6-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[[6-(2-methoxy-2-oxo-ethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[6-(2-methoxy-2-oxoethyl)-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[[6-(2-methoxy-2-oxoethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[4-keto-6-(2-keto-2-methoxy-ethyl)-1H-pyrimidin-2-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H19N3O6S/c1-26-16(24)8-13-7-14(22)21-18(20-13)28-10-15(23)19-9-11-3-5-12(6-4-11)17(25)27-2/h3-7H,8-10H2,1-2H3,(H,19,23)(H,20,21,22)