5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 3-benzyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 3-benzoxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C27H30N2O3S MolecularWeight: 462.6037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H30N2O3S/c1-28(2)17-18-29-23-11-7-8-12-24(23)33-26(21-13-15-22(31-3)16-14-21)25(27(29)30)32-19-20-9-5-4-6-10-20/h4-16,25-26H,17-19H2,1-3H3