methyl 2-[2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C18H15N5O4S/c1-27-16(26)7-10-6-15(25)23-18(20-10)28-9-14(24)11(8-19)17-21-12-4-2-3-5-13(12)22-17/h2-6,21-22H,7,9H2,1H3,(H,20,23,25)