[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H25N3O5S/c30-24(29-13-11-28(12-14-29)19-5-2-1-3-6-19)18-34-26(31)21-7-4-10-27-25(21)35-20-8-9-22-23(17-20)33-16-15-32-22/h1-10,17H,11-16,18H2