N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[4-(4-ethylphenyl)-2-thiazolyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C20H17N3O5S/c1-2-12-3-5-13(6-4-12)15-11-29-20(21-15)22-19(24)14-9-17-18(28-8-7-27-17)10-16(14)23(25)26/h3-6,9-11H,2,7-8H2,1H3,(H,21,22,24)