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

Systemtic Name: [4-[(butoxycarbonylamino)methyl]-5-oxidanylidene-2,3-dihydro-1-benzothiepin-4-yl]methyl N-butylcarbamate Openeye Name: [4-[(butoxycarbonylamino)methyl]-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methyl N-butylcarbamate CAS Name: N-butylcarbamic acid [4-[[[butoxy(oxo)methyl]amino]methyl]-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methyl ester IUPAC Name: [4-[(butoxycarbonylamino)methyl]-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methyl N-butylcarbamate Traditional Name: N-butylcarbamic acid [4-[(butoxycarbonylamino)methyl]-5-keto-2,3-dihydro-1-benzothiepin-4-yl]methyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OCC1(CCSC2=CC=CC=C2C1=O)CNC(=O)OCCCC

Isomeric SMILES

CCCCNC(=O)OCC1(CCSC2=CC=CC=C2C1=O)CNC(=O)OCCCC

InChI

InChI=1S/C22H32N2O5S/c1-3-5-12-23-20(26)29-16-22(15-24-21(27)28-13-6-4-2)11-14-30-18-10-8-7-9-17(18)19(22)25/h7-10H,3-6,11-16H2,1-2H3,(H,23,26)(H,24,27)