methyl 2-[[3-(3-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[3-(3-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3-(m-tolyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-(3-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(3-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-3-(m-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CCCC4

InChI

InChI=1S/C20H20N2O3S2/c1-12-6-5-7-13(10-12)22-19(24)17-14-8-3-4-9-15(14)27-18(17)21-20(22)26-11-16(23)25-2/h5-7,10H,3-4,8-9,11H2,1-2H3