[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(2-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H17FN2O4S MolecularWeight: 388.412683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)F

InChI

InChI=1S/C19H17FN2O4S/c1-11-2-4-14(13(20)8-11)21-18(24)10-26-19(25)12-3-5-16-15(9-12)22-17(23)6-7-27-16/h2-5,8-9H,6-7,10H2,1H3,(H,21,24)(H,22,23)