5-acetamido-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]thiophene-2-carboxamide

Systemtic Name: 5-acetamido-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]thiophene-2-carboxamide Openeye Name: 5-acetamido-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]thiophene-2-carboxamide CAS Name: 5-acetamido-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-thiophenecarboxamide IUPAC Name: 5-acetamido-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]thiophene-2-carboxamide Traditional Name: 5-acetamido-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]thiophene-2-carboxamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(S3)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(S3)NC(=O)C

InChI

InChI=1S/C20H24N2O4S/c1-12(2)19(14-5-6-15-16(11-14)26-10-4-9-25-15)22-20(24)17-7-8-18(27-17)21-13(3)23/h5-8,11-12,19H,4,9-10H2,1-3H3,(H,21,23)(H,22,24)/t19-/m0/s1