ethyl 4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(3-methoxy-3-oxo-propyl)sulfanyl-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(3-methoxy-3-oxopropyl)thio]-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methoxy-3-oxopropyl)sulfanyl-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(3-keto-3-methoxy-propyl)thio]-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N2O4S3 MolecularWeight: 462.60538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCCC(=O)OC)CSC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCCC(=O)OC)CSC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O4S3/c1-4-27-21(25)18-13(2)17-19(28-11-10-16(24)26-3)22-15(23-20(17)30-18)12-29-14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3