methyl 4-[(3-ethyl-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(3-ethyl-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-ethyl-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-ethyl-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-ethyl-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-ethyl-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)OC)SC4=C2CCC(C4)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)OC)SC4=C2CCC(C4)C

InChI

InChI=1S/C22H24N2O3S2/c1-4-24-20(25)18-16-10-5-13(2)11-17(16)29-19(18)23-22(24)28-12-14-6-8-15(9-7-14)21(26)27-3/h6-9,13H,4-5,10-12H2,1-3H3