N-[2-(tert-butylcarbamoyl)-3-chloranyl-1-benzothiophen-7-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-(tert-butylcarbamoyl)-3-chloranyl-1-benzothiophen-7-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(tert-butylcarbamoyl)-3-chloro-benzothiophen-7-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-[(tert-butylamino)-oxomethyl]-3-chloro-1-benzothiophen-7-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(tert-butylcarbamoyl)-3-chloro-1-benzothiophen-7-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(tert-butylcarbamoyl)-3-chloro-benzothiophen-7-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-22(2,3)25-21(27)19-17(23)13-5-4-6-14(18(13)30-19)24-20(26)12-7-8-15-16(11-12)29-10-9-28-15/h4-8,11H,9-10H2,1-3H3,(H,24,26)(H,25,27)