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

Systemtic Name: 2-[[5-(carboxymethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]ethanoic acid Openeye Name: 2-[[5-(carboxymethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]acetic acid CAS Name: 2-[[5-(carboxymethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]acetic acid IUPAC Name: 2-[[5-(carboxymethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]acetic acid Traditional Name: 2-[[5-(carboxymethyl)-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]acetic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CC(=O)O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CC(=O)O)NCC(=O)O

InChI

InChI=1S/C19H18N2O5S/c22-15(23)10-20-17-18(12-6-2-1-3-7-12)27-14-9-5-4-8-13(14)21(19(17)26)11-16(24)25/h1-9,17-18,20H,10-11H2,(H,22,23)(H,24,25)