5-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]methyl]-2-methoxy-benzoate

Systemtic Name: 5-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]methyl]-2-methoxy-benzoate Openeye Name: 5-[[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]methyl]-2-methoxybenzoate IUPAC Name: 5-[[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]methyl]-2-methoxy-benzoate Formula: C19H18N3O4S2- MolecularWeight: 416.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCC3=CC(=C(C=C3)OC)C(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCC3=CC(=C(C=C3)OC)C(=O)[O-])C

InChI

InChI=1S/C19H19N3O4S2/c1-10-11(2)28-18-16(10)17(21-9-22-18)27-8-15(23)20-7-12-4-5-14(26-3)13(6-12)19(24)25/h4-6,9H,7-8H2,1-3H3,(H,20,23)(H,24,25)/p-1