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

Systemtic Name: ethyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-(3-phenylazanylpropyl)pyridine-3-carboxylate Openeye Name: ethyl 4-(3-anilinopropyl)-6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate CAS Name: 4-(3-anilinopropyl)-6-ethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-anilinopropyl)-6-ethyl-5-ethylsulfanylcarbonyl-2-phenylpyridine-3-carboxylate Traditional Name: 4-(3-anilinopropyl)-6-ethyl-5-(ethylthio)carbonyl-2-phenyl-nicotinic acid ethyl ester Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC)CCCNC3=CC=CC=C3)C(=O)SCC

Isomeric SMILES

CCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC)CCCNC3=CC=CC=C3)C(=O)SCC

InChI

InChI=1S/C28H32N2O3S/c1-4-23-24(28(32)34-6-3)22(18-13-19-29-21-16-11-8-12-17-21)25(27(31)33-5-2)26(30-23)20-14-9-7-10-15-20/h7-12,14-17,29H,4-6,13,18-19H2,1-3H3