4-[[4-oxidanylidene-2-[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl]sulfanyl-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-2-[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl]sulfanyl-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[2-[2-(N-allylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]thio]-3-thieno[3,2-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-2-[2-oxo-2-(N-prop-2-enylanilino)ethyl]sulfanylthieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[2-[[2-(N-allylanilino)-2-keto-ethyl]thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C25H21N3O4S2 MolecularWeight: 491.58194

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3

Isomeric SMILES

C=CCN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3

InChI

InChI=1S/C25H21N3O4S2/c1-2-13-27(19-6-4-3-5-7-19)21(29)16-34-25-26-20-12-14-33-22(20)23(30)28(25)15-17-8-10-18(11-9-17)24(31)32/h2-12,14H,1,13,15-16H2,(H,31,32)