N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2-fluorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2-fluorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2-fluorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2-fluorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(2-fluorobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C31H25FN2O4S MolecularWeight: 540.604603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4CC6=CC=CC=C6F

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4CC6=CC=CC=C6F

InChI

InChI=1S/C31H25FN2O4S/c1-19(20-10-12-26-27(17-20)38-15-14-37-26)33-30(35)21-11-13-29-25(16-21)34(18-22-6-2-4-8-24(22)32)31(36)23-7-3-5-9-28(23)39-29/h2-13,16-17,19H,14-15,18H2,1H3,(H,33,35)