[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 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 [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 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 [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl ester Formula: C21H17FN2O4S MolecularWeight: 412.434083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(ON=C1COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN2O4S/c1-12-17(24-28-20(12)13-2-5-15(22)6-3-13)11-27-21(26)14-4-7-18-16(10-14)23-19(25)8-9-29-18/h2-7,10H,8-9,11H2,1H3,(H,23,25)