methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[allyl(2-thenyl)amino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)N(CC=C)CC2=CC=CS2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)N(CC=C)CC2=CC=CS2

InChI

InChI=1S/C17H19N3O4S2/c1-3-6-20(10-13-5-4-7-25-13)15(22)11-26-17-18-12(8-14(21)19-17)9-16(23)24-2/h3-5,7-8H,1,6,9-11H2,2H3,(H,18,19,21)