butyl N-[[4-(hydroxymethyl)-5-oxidanylidene-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamate

Systemtic Name: butyl N-[[4-(hydroxymethyl)-5-oxidanylidene-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamate Openeye Name: butyl N-[[4-(hydroxymethyl)-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamate CAS Name: N-[[4-(hydroxymethyl)-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamic acid butyl ester IUPAC Name: butyl N-[[4-(hydroxymethyl)-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamate Traditional Name: N-[(5-keto-4-methylol-2,3-dihydro-1-benzothiepin-4-yl)methyl]carbamic acid butyl ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NCC1(CCSC2=CC=CC=C2C1=O)CO

Isomeric SMILES

CCCCOC(=O)NCC1(CCSC2=CC=CC=C2C1=O)CO

InChI

InChI=1S/C17H23NO4S/c1-2-3-9-22-16(21)18-11-17(12-19)8-10-23-14-7-5-4-6-13(14)15(17)20/h4-7,19H,2-3,8-12H2,1H3,(H,18,21)