(11Z)-11-(3-thiomorpholin-4-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: (11Z)-11-(3-thiomorpholin-4-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: (11Z)-11-(3-thiomorpholinopropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid CAS Name: (11Z)-11-(3-thiomorpholin-4-ylpropylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: (11Z)-11-(3-thiomorpholin-4-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: (11Z)-11-(3-thiomorpholinopropylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CCC=C2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)O

Isomeric SMILES

C1CSCCN1CC/C=C\2/C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)O

InChI

InChI=1S/C22H23NO3S/c24-22(25)16-7-8-21-20(14-16)19(6-3-9-23-10-12-27-13-11-23)18-5-2-1-4-17(18)15-26-21/h1-2,4-8,14H,3,9-13,15H2,(H,24,25)/b19-6-