methyl 2-[2-(4-benzamido-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(4-benzamido-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(4-benzamido-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(4-benzamido-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzamido-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(4-benzamido-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C25H22N4O4S2 MolecularWeight: 506.59658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C25H22N4O4S2/c1-14-15(2)35-23-20(14)21(27-22(31)16-9-5-4-6-10-16)28-25(29-23)34-13-19(30)26-18-12-8-7-11-17(18)24(32)33-3/h4-12H,13H2,1-3H3,(H,26,30)(H,27,28,29,31)