ethyl 3-phenyl-2-[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)ethanoylamino]propanoate

Systemtic Name: ethyl 3-phenyl-2-[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)ethanoylamino]propanoate Openeye Name: ethyl 3-phenyl-2-[[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)acetyl]amino]propanoate CAS Name: 2-[[1-oxo-2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)ethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-phenyl-2-[[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)acetyl]amino]propanoate Traditional Name: 3-phenyl-2-[[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)acetyl]amino]propionic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)COC2CCNC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)COC2CCNC3=CC=CC=C3S2

InChI

InChI=1S/C22H26N2O4S/c1-2-27-22(26)18(14-16-8-4-3-5-9-16)24-20(25)15-28-21-12-13-23-17-10-6-7-11-19(17)29-21/h3-11,18,21,23H,2,12-15H2,1H3,(H,24,25)