(2-methoxy-5-nitro-phenyl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid (2-methoxy-5-nitro-benzyl) ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC)N)C

InChI

InChI=1S/C18H17N3O5S/c1-9-6-10(2)20-17-14(9)15(19)16(27-17)18(22)26-8-11-7-12(21(23)24)4-5-13(11)25-3/h4-7H,8,19H2,1-3H3