ethyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-(2-phenylazanylethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-(2-phenylazanylethyl)pyridine-3-carboxylate Openeye Name: ethyl 4-(2-anilinoethyl)-6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate CAS Name: 4-(2-anilinoethyl)-6-ethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-anilinoethyl)-6-ethyl-5-ethylsulfanylcarbonyl-2-phenylpyridine-3-carboxylate Traditional Name: 4-(2-anilinoethyl)-6-ethyl-5-(ethylthio)carbonyl-2-phenyl-nicotinic acid ethyl ester Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC)CCNC3=CC=CC=C3)C(=O)SCC

Isomeric SMILES

CCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC)CCNC3=CC=CC=C3)C(=O)SCC

InChI

InChI=1S/C27H30N2O3S/c1-4-22-23(27(31)33-6-3)21(17-18-28-20-15-11-8-12-16-20)24(26(30)32-5-2)25(29-22)19-13-9-7-10-14-19/h7-16,28H,4-6,17-18H2,1-3H3