S-[[2-(1,3-benzodioxol-5-ylcarbonylcarbamoyl)-3,4-dihydro-1H-naphthalen-2-yl]methyl] ethanethioate

Systemtic Name: S-[[2-(1,3-benzodioxol-5-ylcarbonylcarbamoyl)-3,4-dihydro-1H-naphthalen-2-yl]methyl] ethanethioate Openeye Name: S-[[2-(1,3-benzodioxole-5-carbonylcarbamoyl)tetralin-2-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[2-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-oxomethyl]-3,4-dihydro-1H-naphthalen-2-yl]methyl] ester IUPAC Name: S-[[2-(1,3-benzodioxole-5-carbonylcarbamoyl)-3,4-dihydro-1H-naphthalen-2-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[2-(piperonyloylcarbamoyl)tetralin-2-yl]methyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1(CCC2=CC=CC=C2C1)C(=O)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)SCC1(CCC2=CC=CC=C2C1)C(=O)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21NO5S/c1-14(24)29-12-22(9-8-15-4-2-3-5-17(15)11-22)21(26)23-20(25)16-6-7-18-19(10-16)28-13-27-18/h2-7,10H,8-9,11-13H2,1H3,(H,23,25,26)