ethyl (2S)-2-azanyl-3-[3-(ethoxymethyl)-5-nitro-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanyl-propanoate

Systemtic Name: ethyl (2S)-2-azanyl-3-[3-(ethoxymethyl)-5-nitro-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanyl-propanoate Openeye Name: ethyl (2S)-2-amino-3-[3-(ethoxymethyl)-5-nitro-2,6-dioxo-pyrimidin-4-yl]sulfanyl-propanoate CAS Name: (2S)-2-amino-3-[[3-(ethoxymethyl)-5-nitro-2,6-dioxo-4-pyrimidinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-3-[3-(ethoxymethyl)-5-nitro-2,6-dioxopyrimidin-4-yl]sulfanylpropanoate Traditional Name: (2S)-2-amino-3-[[3-(ethoxymethyl)-2,6-diketo-5-nitro-pyrimidin-4-yl]thio]propionic acid ethyl ester Formula: C12H18N4O7S MolecularWeight: 362.35892

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(C(=O)NC1=O)[N+](=O)[O-])SCC(C(=O)OCC)N

Isomeric SMILES

CCOCN1C(=C(C(=O)NC1=O)[N+](=O)[O-])SC[C@H](C(=O)OCC)N

InChI

InChI=1S/C12H18N4O7S/c1-3-22-6-15-10(24-5-7(13)11(18)23-4-2)8(16(20)21)9(17)14-12(15)19/h7H,3-6,13H2,1-2H3,(H,14,17,19)/t7-/m1/s1