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

Systemtic Name: 11-(2-benzamidoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-(2-benzamidoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-(2-benzamidoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-(2-benzamidoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-(2-benzamidoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C24H21NO4S MolecularWeight: 419.49284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21NO4S/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/h1-11,14,22H,12-13,15H2,(H,25,26)(H,27,28)