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

Systemtic Name: 2-[3-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-[(2-ethoxy-2-oxo-ethyl)amino]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[(2-ethoxy-2-oxoethyl)amino]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-[(2-ethoxy-2-oxoethyl)amino]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[3-[(2-ethoxy-2-keto-ethyl)amino]-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-2-28-18(26)12-22-19-20(14-8-4-3-5-9-14)29-16-11-7-6-10-15(16)23(21(19)27)13-17(24)25/h3-11,19-20,22H,2,12-13H2,1H3,(H,24,25)