methyl 2-methoxy-3-methyl-5-[(3-methyl-4-oxidanylidene-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 2-methoxy-3-methyl-5-[(3-methyl-4-oxidanylidene-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 2-methoxy-3-methyl-5-[(3-methyl-4-oxo-benzothiopheno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-methoxy-3-methyl-5-[[(3-methyl-4-oxo-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-3-methyl-5-[(3-methyl-4-oxo-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 5-[[(4-keto-3-methyl-benzothiopheno[2,3-d]pyrimidin-2-yl)thio]methyl]-2-methoxy-3-methyl-benzoic acid methyl ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CSC2=NC3=C(C4=CC=CC=C4S3)C(=O)N2C)C(=O)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)CSC2=NC3=C(C4=CC=CC=C4S3)C(=O)N2C)C(=O)OC)OC

InChI

InChI=1S/C22H20N2O4S2/c1-12-9-13(10-15(18(12)27-3)21(26)28-4)11-29-22-23-19-17(20(25)24(22)2)14-7-5-6-8-16(14)30-19/h5-10H,11H2,1-4H3