ethyl 4-[2-(4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C29H23N3O4S2 MolecularWeight: 541.64062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O4S2/c1-2-36-28(35)20-13-15-21(16-14-20)30-24(33)18-38-29-31-26-25(23(17-37-26)19-9-5-3-6-10-19)27(34)32(29)22-11-7-4-8-12-22/h3-17H,2,18H2,1H3,(H,30,33)