methyl 2-[2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H19N3O4S3 MolecularWeight: 485.59896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C(=O)OC)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C(=O)OC)C4=CC=CC=C4)C

InChI

InChI=1S/C22H19N3O4S3/c1-12-13(2)32-19-17(12)20(27)25(14-7-5-4-6-8-14)22(24-19)31-11-16(26)23-18-15(9-10-30-18)21(28)29-3/h4-10H,11H2,1-3H3,(H,23,26)