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

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H13ClN2O3S2/c1-8-13-16(22)20-9(2)21-17(13)26-15(8)18(23)24-7-12-14(19)10-5-3-4-6-11(10)25-12/h3-6H,7H2,1-2H3,(H,20,21,22)