N-[7-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide

Systemtic Name: N-[7-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide Openeye Name: N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide CAS Name: N-[7-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2-thiophenecarboxamide IUPAC Name: N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide Traditional Name: N-(7-p-toluoyl-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2NC(=O)C4=CC=CS4)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2NC(=O)C4=CC=CS4)OCCO3

InChI

InChI=1S/C21H17NO4S/c1-13-4-6-14(7-5-13)20(23)15-11-17-18(26-9-8-25-17)12-16(15)22-21(24)19-3-2-10-27-19/h2-7,10-12H,8-9H2,1H3,(H,22,24)