N,N-dimethylethanamine; ethyl 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1-sulfanyl-4H-pyridine-3-carboxylate

Systemtic Name: N,N-dimethylethanamine; ethyl 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1-sulfanyl-4H-pyridine-3-carboxylate Openeye Name: N,N-dimethylethanamine; ethyl 4-(2-benzyloxyphenyl)-2,6-dimethyl-5-nitro-1-sulfanyl-4H-pyridine-3-carboxylate CAS Name: N,N-dimethylethanamine; 1-mercapto-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-4H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: N,N-dimethylethanamine; ethyl 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1-sulfanyl-4H-pyridine-3-carboxylate Traditional Name: 4-(2-benzoxyphenyl)-1-mercapto-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylic acid ethyl ester; ethyl(dimethyl)amine Formula: C27H35N3O5S MolecularWeight: 513.6489

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C.CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2OCC3=CC=CC=C3)[N+](=O)[O-])C)S)C

Isomeric SMILES

CCN(C)C.CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2OCC3=CC=CC=C3)[N+](=O)[O-])C)S)C

InChI

InChI=1S/C23H24N2O5S.C4H11N/c1-4-29-23(26)20-15(2)24(31)16(3)22(25(27)28)21(20)18-12-8-9-13-19(18)30-14-17-10-6-5-7-11-17;1-4-5(2)3/h5-13,21,31H,4,14H2,1-3H3;4H2,1-3H3