4-(diethoxyphosphorylmethyl)-3,5-dihydro-2H-1,4-benzothiazepine

Systemtic Name: 4-(diethoxyphosphorylmethyl)-3,5-dihydro-2H-1,4-benzothiazepine Openeye Name: 4-(diethoxyphosphorylmethyl)-3,5-dihydro-2H-1,4-benzothiazepine CAS Name: 4-(diethoxyphosphorylmethyl)-3,5-dihydro-2H-1,4-benzothiazepine IUPAC Name: 4-(diethoxyphosphorylmethyl)-3,5-dihydro-2H-1,4-benzothiazepine Traditional Name: 4-(diethoxyphosphorylmethyl)-3,5-dihydro-2H-1,4-benzothiazepine Formula: C14H22NO3PS MolecularWeight: 315.368141

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CN1CCSC2=CC=CC=C2C1)OCC

Isomeric SMILES

CCOP(=O)(CN1CCSC2=CC=CC=C2C1)OCC

InChI

InChI=1S/C14H22NO3PS/c1-3-17-19(16,18-4-2)12-15-9-10-20-14-8-6-5-7-13(14)11-15/h5-8H,3-4,9-12H2,1-2H3