ethyl 5-ethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OCC

InChI

InChI=1S/C19H18N2O7S/c1-3-12-8-13(19(23)26-4-2)18(29-12)20-17(22)6-5-11-7-15-16(28-10-27-15)9-14(11)21(24)25/h5-9H,3-4,10H2,1-2H3,(H,20,22)/b6-5+