11-[2-(cyclohexylcarbonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-[2-(cyclohexylcarbonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-[2-(cyclohexanecarbonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-[2-[[cyclohexyl(oxo)methyl]amino]ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-[2-(cyclohexanecarbonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-[2-(cyclohexanecarbonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C24H27NO4S MolecularWeight: 425.54048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCCSC2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NCCSC2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)O

InChI

InChI=1S/C24H27NO4S/c26-23(16-6-2-1-3-7-16)25-12-13-30-22-19-9-5-4-8-18(19)15-29-21-11-10-17(24(27)28)14-20(21)22/h4-5,8-11,14,16,22H,1-3,6-7,12-13,15H2,(H,25,26)(H,27,28)