5-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]thiophene-2-carboxylic acid CAS Name: 5-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]thiophene-2-carboxylic acid Traditional Name: 5-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]-2-thenoic acid Formula: C19H14ClNO3S MolecularWeight: 371.83736

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1CC4=CC=C(S4)C(=O)O)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1CC4=CC=C(S4)C(=O)O)C=C(C=C3)Cl

InChI

InChI=1S/C19H14ClNO3S/c20-13-5-7-17-15(9-13)21(10-12-3-1-2-4-16(12)24-17)11-14-6-8-18(25-14)19(22)23/h1-9H,10-11H2,(H,22,23)