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

Systemtic Name: methyl 4-[(4-oxidanylidene-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-oxo-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxo-3,6-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C27H20N2O3S2 MolecularWeight: 484.5893

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O3S2/c1-32-26(31)20-14-12-18(13-15-20)17-33-27-28-24-22(16-23(34-24)19-8-4-2-5-9-19)25(30)29(27)21-10-6-3-7-11-21/h2-16H,17H2,1H3