[5-oxidanylidene-4-(pentylcarbamoyloxymethyl)-2,3-dihydro-1-benzothiepin-4-yl]methyl N-pentylcarbamate

Systemtic Name: [5-oxidanylidene-4-(pentylcarbamoyloxymethyl)-2,3-dihydro-1-benzothiepin-4-yl]methyl N-pentylcarbamate Openeye Name: [5-oxo-4-(pentylcarbamoyloxymethyl)-2,3-dihydro-1-benzothiepin-4-yl]methyl N-pentylcarbamate CAS Name: N-pentylcarbamic acid [5-oxo-4-[[oxo-(pentylamino)methoxy]methyl]-2,3-dihydro-1-benzothiepin-4-yl]methyl ester IUPAC Name: [5-oxo-4-(pentylcarbamoyloxymethyl)-2,3-dihydro-1-benzothiepin-4-yl]methyl N-pentylcarbamate Traditional Name: N-amylcarbamic acid [4-(amylcarbamoyloxymethyl)-5-keto-2,3-dihydro-1-benzothiepin-4-yl]methyl ester Formula: C24H36N2O5S MolecularWeight: 464.61804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)OCC1(CCSC2=CC=CC=C2C1=O)COC(=O)NCCCCC

Isomeric SMILES

CCCCCNC(=O)OCC1(CCSC2=CC=CC=C2C1=O)COC(=O)NCCCCC

InChI

InChI=1S/C24H36N2O5S/c1-3-5-9-14-25-22(28)30-17-24(18-31-23(29)26-15-10-6-4-2)13-16-32-20-12-8-7-11-19(20)21(24)27/h7-8,11-12H,3-6,9-10,13-18H2,1-2H3,(H,25,28)(H,26,29)