4-[5-azanyl-8-(butylcarbamoyl)-3,3,9-trimethyl-6-oxidanyl-decanoyl]-N-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide

Systemtic Name: 4-[5-azanyl-8-(butylcarbamoyl)-3,3,9-trimethyl-6-oxidanyl-decanoyl]-N-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide Openeye Name: 4-[5-amino-8-(butylcarbamoyl)-6-hydroxy-3,3,9-trimethyl-decanoyl]-N-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide CAS Name: 4-[5-amino-8-[butylamino(oxo)methyl]-6-hydroxy-3,3,9-trimethyl-1-oxodecyl]-N-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide IUPAC Name: 4-[5-amino-8-(butylcarbamoyl)-6-hydroxy-3,3,9-trimethyldecanoyl]-N-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide Traditional Name: 4-[5-amino-8-(butylcarbamoyl)-6-hydroxy-3,3,9-trimethyl-decanoyl]-N-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide Formula: C29H48N4O4S MolecularWeight: 548.78082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC(C(CC(C)(C)CC(=O)N1CC(SC2=CC=CC=C21)C(=O)NCC)N)O)C(C)C

Isomeric SMILES

CCCCNC(=O)C(CC(C(CC(C)(C)CC(=O)N1CC(SC2=CC=CC=C21)C(=O)NCC)N)O)C(C)C

InChI

InChI=1S/C29H48N4O4S/c1-7-9-14-32-27(36)20(19(3)4)15-23(34)21(30)16-29(5,6)17-26(35)33-18-25(28(37)31-8-2)38-24-13-11-10-12-22(24)33/h10-13,19-21,23,25,34H,7-9,14-18,30H2,1-6H3,(H,31,37)(H,32,36)