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

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenecarboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-methyl-5-(pivaloylamino)thiophene-2-carboxamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H28N2O4S/c1-13-11-18(24-21(26)22(3,4)5)29-19(13)20(25)23-14(2)15-7-8-16-17(12-15)28-10-6-9-27-16/h7-8,11-12,14H,6,9-10H2,1-5H3,(H,23,25)(H,24,26)