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

Systemtic Name: 2-[[5-(carboxymethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]decanoic acid Openeye Name: 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]decanoic acid CAS Name: 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]decanoic acid IUPAC Name: 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]decanoic acid Traditional Name: 2-[[5-(carboxymethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]capric acid Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CCCCCCCCC(C(=O)O)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C21H30N2O5S/c1-2-3-4-5-6-7-10-15(21(27)28)22-16-14-29-18-12-9-8-11-17(18)23(20(16)26)13-19(24)25/h8-9,11-12,15-16,22H,2-7,10,13-14H2,1H3,(H,24,25)(H,27,28)