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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-5-(2-dimethylaminoethyl)-4-oxidanylidene-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-5-(2-dimethylaminoethyl)-4-oxo-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [2-(1,3-benzodioxol-5-yl)-5-(2-dimethylaminoethyl)-4-oxo-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-5-(2-dimethylaminoethyl)-4-oxo-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [2-(1,3-benzodioxol-5-yl)-5-(2-dimethylaminoethyl)-4-keto-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=C(C=CC(=C2)OC3=CC=CC=C3)N(C1=O)CCN(C)C)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)OC1C(SC2=C(C=CC(=C2)OC3=CC=CC=C3)N(C1=O)CCN(C)C)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H28N2O6S/c1-18(31)35-26-27(19-9-12-23-24(15-19)34-17-33-23)37-25-16-21(36-20-7-5-4-6-8-20)10-11-22(25)30(28(26)32)14-13-29(2)3/h4-12,15-16,26-27H,13-14,17H2,1-3H3