(11E)-11-(2-thiomorpholin-4-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: (11E)-11-(2-thiomorpholin-4-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: (11E)-11-(2-thiomorpholinoethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid CAS Name: (11E)-11-(2-thiomorpholin-4-ylethylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: (11E)-11-(2-thiomorpholin-4-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: (11E)-11-(2-thiomorpholinoethylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid Formula: C21H21NO3S MolecularWeight: 367.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CC=C2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)O

Isomeric SMILES

C1CSCCN1C/C=C/2\C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)O

InChI

InChI=1S/C21H21NO3S/c23-21(24)15-5-6-20-19(13-15)18(7-8-22-9-11-26-12-10-22)17-4-2-1-3-16(17)14-25-20/h1-7,13H,8-12,14H2,(H,23,24)/b18-7+