2-(9-acetamido-11-oxidanylidene-6H-benzo[c][1]benzothiepin-2-yl)ethanoic acid

Systemtic Name: 2-(9-acetamido-11-oxidanylidene-6H-benzo[c][1]benzothiepin-2-yl)ethanoic acid Openeye Name: 2-(9-acetamido-11-oxo-6H-benzo[c][1]benzothiepin-2-yl)acetic acid CAS Name: 2-(9-acetamido-11-oxo-6H-benzo[c][1]benzothiepin-2-yl)acetic acid IUPAC Name: 2-(9-acetamido-11-oxo-6H-benzo[c][1]benzothiepin-2-yl)acetic acid Traditional Name: 2-(9-acetamido-11-keto-6H-benzo[c][1]benzothiepin-2-yl)acetic acid Formula: C18H15NO4S MolecularWeight: 341.381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(CSC3=C(C2=O)C=C(C=C3)CC(=O)O)C=C1

Isomeric SMILES

CC(=O)NC1=CC2=C(CSC3=C(C2=O)C=C(C=C3)CC(=O)O)C=C1

InChI

InChI=1S/C18H15NO4S/c1-10(20)19-13-4-3-12-9-24-16-5-2-11(7-17(21)22)6-15(16)18(23)14(12)8-13/h2-6,8H,7,9H2,1H3,(H,19,20)(H,21,22)