methyl 2-[(2-prop-2-enylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)sulfanyl]benzoate

Systemtic Name: methyl 2-[(2-prop-2-enylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)sulfanyl]benzoate Openeye Name: methyl 2-(2-allylsulfanylbenzothiopheno[3,2-d]pyrimidin-4-yl)sulfanylbenzoate CAS Name: 2-[[2-(prop-2-enylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-prop-2-enylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)sulfanyl]benzoate Traditional Name: 2-[[2-(allylthio)benzothiopheno[3,2-d]pyrimidin-4-yl]thio]benzoic acid methyl ester Formula: C21H16N2O2S3 MolecularWeight: 424.55894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=NC(=NC3=C2SC4=CC=CC=C43)SCC=C

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=NC(=NC3=C2SC4=CC=CC=C43)SCC=C

InChI

InChI=1S/C21H16N2O2S3/c1-3-12-26-21-22-17-13-8-4-6-10-15(13)27-18(17)19(23-21)28-16-11-7-5-9-14(16)20(24)25-2/h3-11H,1,12H2,2H3