4-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C24H19N3O4S2 MolecularWeight: 477.55536

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)O)SC=C2C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)O)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C24H19N3O4S2/c1-2-12-27-22(29)20-18(15-6-4-3-5-7-15)13-32-21(20)26-24(27)33-14-19(28)25-17-10-8-16(9-11-17)23(30)31/h2-11,13H,1,12,14H2,(H,25,28)(H,30,31)