methyl 4-[[4-oxidanylidene-6-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-6-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[6-[2-(allylamino)-2-oxo-ethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-oxo-6-[2-oxo-2-(prop-2-enylamino)ethyl]-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-6-[2-oxo-2-(prop-2-enylamino)ethyl]-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[6-[2-(allylamino)-2-keto-ethyl]-4-keto-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCC=C

InChI

InChI=1S/C18H19N3O4S/c1-3-8-19-15(22)9-14-10-16(23)21-18(20-14)26-11-12-4-6-13(7-5-12)17(24)25-2/h3-7,10H,1,8-9,11H2,2H3,(H,19,22)(H,20,21,23)