ethyl 8-benzamido-3-cyclohexyl-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazin-3-ium-7-carboxylate

Systemtic Name: ethyl 8-benzamido-3-cyclohexyl-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazin-3-ium-7-carboxylate Openeye Name: ethyl 8-benzamido-3-cyclohexyl-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazin-3-ium-7-carboxylate CAS Name: 8-benzamido-3-cyclohexyl-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazin-3-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl 8-benzamido-3-cyclohexyl-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazin-3-ium-7-carboxylate Traditional Name: 8-benzamido-3-cyclohexyl-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazin-3-ium-7-carboxylic acid ethyl ester Formula: C26H29N2O4S+ MolecularWeight: 465.58446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC3=C2OC[NH+](C3)C4CCCCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC3=C2OC[NH+](C3)C4CCCCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H28N2O4S/c1-2-31-26(30)21-20-14-13-18-15-28(19-11-7-4-8-12-19)16-32-22(18)23(20)33-25(21)27-24(29)17-9-5-3-6-10-17/h3,5-6,9-10,13-14,19H,2,4,7-8,11-12,15-16H2,1H3,(H,27,29)/p+1