5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-ethylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-ethylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-ethylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-[[2-(ethylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-ethylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[[4-[2-(ethylthio)nicotinoyl]piperazino]methyl]pyran-4-one Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C27H31N3O4S/c1-4-35-26-23(6-5-7-28-26)27(32)30-10-8-29(9-11-30)16-22-15-24(31)25(18-33-22)34-17-21-13-19(2)12-20(3)14-21/h5-7,12-15,18H,4,8-11,16-17H2,1-3H3