methyl 4-[2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H19N3O3S2/c1-14-3-5-15(6-4-14)18-11-30-21-20(18)22(25-13-24-21)31-12-19(27)26-17-9-7-16(8-10-17)23(28)29-2/h3-11,13H,12H2,1-2H3,(H,26,27)