methyl 4-[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 4-[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-[2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]thio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[[2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]thio]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C26H21N3O3S2 MolecularWeight: 487.59324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)C(=O)OC

InChI

InChI=1S/C26H21N3O3S2/c1-14-20-24(33-22(14)26(31)32-3)28-15(2)29-25(20)34-23(16-9-5-4-6-10-16)21(30)18-13-27-19-12-8-7-11-17(18)19/h4-13,23,27H,1-3H3