2-[(3R)-3-azanyl-4-oxidanylidene-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[(3R)-3-azanyl-4-oxidanylidene-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[(3R)-3-amino-4-oxo-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[(3R)-3-amino-4-oxo-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[(3R)-3-amino-4-oxo-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[(3R)-3-amino-4-keto-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C12H11F3N2O3S MolecularWeight: 320.28755

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=C(S1)C=CC(=C2)C(F)(F)F)CC(=O)O)N

Isomeric SMILES

C1[C@@H](C(=O)N(C2=C(S1)C=CC(=C2)C(F)(F)F)CC(=O)O)N

InChI

InChI=1S/C12H11F3N2O3S/c13-12(14,15)6-1-2-9-8(3-6)17(4-10(18)19)11(20)7(16)5-21-9/h1-3,7H,4-5,16H2,(H,18,19)/t7-/m0/s1