5-ethyl-2-(4-methoxyphenyl)-3-[3-(methylamino)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-ethyl-2-(4-methoxyphenyl)-3-[3-(methylamino)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-ethyl-2-(4-methoxyphenyl)-3-[3-(methylamino)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-ethyl-2-(4-methoxyphenyl)-3-[3-(methylamino)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-ethyl-2-(4-methoxyphenyl)-3-[3-(methylamino)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-ethyl-2-(4-methoxyphenyl)-3-[3-(methylamino)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC(C(C1=O)CCCNC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C2=CC=CC=C2SC(C(C1=O)CCCNC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O2S/c1-4-24-19-9-5-6-10-20(19)27-21(16-11-13-17(26-3)14-12-16)18(22(24)25)8-7-15-23-2/h5-6,9-14,18,21,23H,4,7-8,15H2,1-3H3