3-diethoxyphosphoryl-2-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 3-diethoxyphosphoryl-2-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 3-diethoxyphosphoryl-2-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 3-diethoxyphosphoryl-2-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 3-diethoxyphosphoryl-2-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 3-diethoxyphosphoryl-2-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine Formula: C17H20NO3PS2 MolecularWeight: 381.449361

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CNC2=CC=CC=C2SC1C3=CC=CS3)OCC

Isomeric SMILES

CCOP(=O)(C1=CNC2=CC=CC=C2SC1C3=CC=CS3)OCC

InChI

InChI=1S/C17H20NO3PS2/c1-3-20-22(19,21-4-2)14-12-18-13-8-5-6-9-15(13)24-17(14)16-10-7-11-23-16/h5-12,17-18H,3-4H2,1-2H3