ethyl 4-[2-(4-oxidanylidene-3-phenethyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-oxidanylidene-3-phenethyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-oxo-3-phenethyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3-phenethyl-2-thieno[3,2-d]pyrimidinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-oxo-3-phenethylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-3-phenethyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)SC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)SC=C3

InChI

InChI=1S/C25H23N3O4S2/c1-2-32-24(31)18-8-10-19(11-9-18)26-21(29)16-34-25-27-20-13-15-33-22(20)23(30)28(25)14-12-17-6-4-3-5-7-17/h3-11,13,15H,2,12,14,16H2,1H3,(H,26,29)