[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-8-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-8-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [8-benzyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-8-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-8-phenylmethoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [8-benzoxy-5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=C(C=CC(=C2)OCC3=CC=CC=C3)N(C1=O)CCN(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)OC1C(SC2=C(C=CC(=C2)OCC3=CC=CC=C3)N(C1=O)CCN(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H32N2O5S/c1-20(32)36-27-28(22-10-12-23(34-4)13-11-22)37-26-18-24(35-19-21-8-6-5-7-9-21)14-15-25(26)31(29(27)33)17-16-30(2)3/h5-15,18,27-28H,16-17,19H2,1-4H3