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

Systemtic Name: 2-[[5-(carboxymethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]ethanoic acid Openeye Name: 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]acetic acid CAS Name: 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]acetic acid IUPAC Name: 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]acetic acid Traditional Name: 2-[[5-(carboxymethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]acetic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5S/c16-11(17)5-14-8-7-21-10-4-2-1-3-9(10)15(13(8)20)6-12(18)19/h1-4,8,14H,5-7H2,(H,16,17)(H,18,19)