methyl 4-[(5,6-dimethyl-4-oxidanylidene-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5,6-dimethyl-4-oxidanylidene-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-isopropyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5,6-dimethyl-4-oxo-3-propan-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,6-dimethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-isopropyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OC)C(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OC)C(C)C)C

InChI

InChI=1S/C20H22N2O3S2/c1-11(2)22-18(23)16-12(3)13(4)27-17(16)21-20(22)26-10-14-6-8-15(9-7-14)19(24)25-5/h6-9,11H,10H2,1-5H3