N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-ethyl]thiophene-2-carboxamide Openeye Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-ethyl]thiophene-2-carboxamide CAS Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]-2-thiophenecarboxamide IUPAC Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]thiophene-2-carboxamide Traditional Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-ethyl]thiophene-2-carboxamide Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)[C@@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4)OC1

InChI

InChI=1S/C22H21NO3S/c24-22(21-8-4-13-27-21)23-18(14-16-6-2-1-3-7-16)17-9-10-19-20(15-17)26-12-5-11-25-19/h1-4,6-10,13,15,18H,5,11-12,14H2,(H,23,24)/t18-/m1/s1