(2-nitrophenyl)methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: (2-nitrophenyl)methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: (2-nitrophenyl)methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid (2-nitrobenzyl) ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)OCC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)OCC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O4S2/c1-10-11(2)26-17-15(10)16(18-9-19-17)25-8-14(21)24-7-12-5-3-4-6-13(12)20(22)23/h3-6,9H,7-8H2,1-2H3