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

Systemtic Name: methyl 4-[2-(4-oxidanylidene-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-oxo-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3,6-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C28H21N3O4S2 MolecularWeight: 527.61404

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H21N3O4S2/c1-35-27(34)19-12-14-20(15-13-19)29-24(32)17-36-28-30-25-22(16-23(37-25)18-8-4-2-5-9-18)26(33)31(28)21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,29,32)