methyl 2-[[3-oxidanylidene-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-butanoyl]amino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-oxidanylidene-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-butanoyl]amino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-oxo-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-butanoyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[1,3-dioxo-4-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]butyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-oxo-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutanoyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[3-keto-4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]butanoyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C26H19N3O4S4 MolecularWeight: 565.70676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CC(=O)CSC3=NC=NC4=C3C=C(S4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CC(=O)CSC3=NC=NC4=C3C=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C26H19N3O4S4/c1-33-26(32)22-18(19-8-5-9-34-19)13-36-25(22)29-21(31)10-16(30)12-35-23-17-11-20(15-6-3-2-4-7-15)37-24(17)28-14-27-23/h2-9,11,13-14H,10,12H2,1H3,(H,29,31)