ethyl 3-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-6-methyl-4-oxidanylidene-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 3-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-6-methyl-4-oxidanylidene-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 3-[(3-chlorobenzothiophen-2-yl)methyl]-6-methyl-4-oxo-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-methyl-4-oxo-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 3-[(3-chlorobenzothiophen-2-yl)methyl]-4-keto-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H15ClN2O4S MolecularWeight: 402.8514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=O)N(C=N2)CC3=C(C4=CC=CC=C4S3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=O)N(C=N2)CC3=C(C4=CC=CC=C4S3)Cl)C

InChI

InChI=1S/C19H15ClN2O4S/c1-3-25-19(24)14-10(2)26-17-15(14)18(23)22(9-21-17)8-13-16(20)11-6-4-5-7-12(11)27-13/h4-7,9H,3,8H2,1-2H3