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

Systemtic Name: ethyl 3-[(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 3-[(6-methyl-4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(6-methyl-4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-keto-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid ethyl ester Formula: C29H24N2O3S2 MolecularWeight: 512.64246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N2O3S2/c1-3-34-28(33)22-14-10-11-20(17-22)18-35-29-30-26-25(27(32)31(29)23-15-8-5-9-16-23)24(19(2)36-26)21-12-6-4-7-13-21/h4-17H,3,18H2,1-2H3