[5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl pyridine-4-carboxylate

Systemtic Name: [5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl pyridine-4-carboxylate Openeye Name: [5-(5-methyl-2-thienyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [5-(5-methyl-2-thiophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-keto-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C18H13N3O3S2 MolecularWeight: 383.44412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC=NC=C4

InChI

InChI=1S/C18H13N3O3S2/c1-10-2-3-13(26-10)12-9-25-17-15(12)16(22)20-14(21-17)8-24-18(23)11-4-6-19-7-5-11/h2-7,9H,8H2,1H3,(H,20,21,22)