ethyl 5-methyl-4-oxidanylidene-2-(quinolin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-(quinolin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-(2-quinolylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(2-quinolinylthio)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-(quinolin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(2-quinolylthio)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C20H17N3O3S2/c1-3-26-20(25)17-11(2)16-18(24)22-14(23-19(16)28-17)10-27-15-9-8-12-6-4-5-7-13(12)21-15/h4-9H,3,10H2,1-2H3,(H,22,23,24)