ethyl 4,5-dimethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H18N2O7S MolecularWeight: 418.42042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

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