N-[3-methoxy-4-(thiophen-2-ylcarbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[3-methoxy-4-(thiophen-2-ylcarbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-methoxy-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-methoxy-4-(2-thenoylamino)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N2O5S/c1-26-17-12-14(5-6-15(17)23-21(25)19-3-2-10-29-19)22-20(24)13-4-7-16-18(11-13)28-9-8-27-16/h2-7,10-12H,8-9H2,1H3,(H,22,24)(H,23,25)