N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-prop-2-enoxy-2-pyridin-4-yl-2H-1,3-thiazole-3-carboxamide

Systemtic Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-prop-2-enoxy-2-pyridin-4-yl-2H-1,3-thiazole-3-carboxamide Openeye Name: 4-allyloxy-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-(4-pyridyl)-2H-thiazole-3-carboxamide CAS Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-prop-2-enoxy-2-pyridin-4-yl-2H-thiazole-3-carboxamide IUPAC Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-prop-2-enoxy-2-pyridin-4-yl-2H-1,3-thiazole-3-carboxamide Traditional Name: 4-allyloxy-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-(4-pyridyl)-4-thiazoline-3-carboxamide Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CSC(N1C(=O)NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=NC=C4

Isomeric SMILES

C=CCOC1=CSC(N1C(=O)NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=NC=C4

InChI

InChI=1S/C20H18N4O6S/c1-2-7-28-18-11-31-19(13-3-5-21-6-4-13)23(18)20(25)22-10-14-8-16-17(30-12-29-16)9-15(14)24(26)27/h2-6,8-9,11,19H,1,7,10,12H2,(H,22,25)