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

Systemtic Name: 2-[(3R)-3-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[(3R)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[(3R)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[(3R)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[(3R)-3-amino-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)O)N

Isomeric SMILES

C1[C@@H](C(=O)N(C2=CC=CC=C2S1)CC(=O)O)N

InChI

InChI=1S/C11H12N2O3S/c12-7-6-17-9-4-2-1-3-8(9)13(11(7)16)5-10(14)15/h1-4,7H,5-6,12H2,(H,14,15)/t7-/m0/s1