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

Systemtic Name: 5-[(3-chloranyl-6-methyl-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(3-chloro-6-methyl-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]thiophene-2-carboxylic acid CAS Name: 5-[(3-chloro-6-methyl-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(3-chloro-6-methyl-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]thiophene-2-carboxylic acid Traditional Name: 5-[(3-chloro-6-methyl-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]-2-thenoic acid Formula: C20H16ClNO3S MolecularWeight: 385.86394

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2OC3=C(N1CC4=CC=C(S4)C(=O)O)C=C(C=C3)Cl

Isomeric SMILES

CC1C2=CC=CC=C2OC3=C(N1CC4=CC=C(S4)C(=O)O)C=C(C=C3)Cl

InChI

InChI=1S/C20H16ClNO3S/c1-12-15-4-2-3-5-17(15)25-18-8-6-13(21)10-16(18)22(12)11-14-7-9-19(26-14)20(23)24/h2-10,12H,11H2,1H3,(H,23,24)