2-(1,3-benzodioxol-5-yl)-5-(2-dimethylaminoethyl)-3-oxidanyl-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-(2-dimethylaminoethyl)-3-oxidanyl-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-(2-dimethylaminoethyl)-3-hydroxy-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 2-(1,3-benzodioxol-5-yl)-5-(2-dimethylaminoethyl)-3-hydroxy-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-(2-dimethylaminoethyl)-3-hydroxy-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-(2-dimethylaminoethyl)-3-hydroxy-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)OC3=CC=CC=C3)SC(C(C1=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)OC3=CC=CC=C3)SC(C(C1=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N2O5S/c1-27(2)12-13-28-20-10-9-19(33-18-6-4-3-5-7-18)15-23(20)34-25(24(29)26(28)30)17-8-11-21-22(14-17)32-16-31-21/h3-11,14-15,24-25,29H,12-13,16H2,1-2H3