4-[2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoate Formula: C22H16N3O4S2- MolecularWeight: 450.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O4S2/c1-12-17(13-5-3-2-4-6-13)18-19(27)24-22(25-20(18)31-12)30-11-16(26)23-15-9-7-14(8-10-15)21(28)29/h2-10H,11H2,1H3,(H,23,26)(H,28,29)(H,24,25,27)/p-1