[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]thio]-3-pyridinecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(3-phenylpropylamino)ethyl]thio]nicotinic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O4S/c32-25(29-17-7-14-22-10-3-1-4-11-22)20-35-28(34)24-16-9-19-31-27(24)36-21-26(33)30-18-8-15-23-12-5-2-6-13-23/h1-6,9-13,16,19H,7-8,14-15,17-18,20-21H2,(H,29,32)(H,30,33)