methyl 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-(indolin-1-ylmethyl)-5-(2-methoxy-2-oxo-ethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(indolin-1-ylmethyl)-4-keto-5-(2-keto-2-methoxy-ethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)CN3CCC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)CN3CCC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C20H19N3O5S/c1-27-15(24)9-12-16-18(25)21-14(22-19(16)29-17(12)20(26)28-2)10-23-8-7-11-5-3-4-6-13(11)23/h3-6H,7-10H2,1-2H3,(H,21,22,25)