3-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C17H15N3O3S2/c1-9-10(2)25-16-14(9)15(18-8-19-16)24-7-13(21)20-12-5-3-4-11(6-12)17(22)23/h3-6,8H,7H2,1-2H3,(H,20,21)(H,22,23)