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

Systemtic Name: methyl 4,5-dimethyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

InChI

InChI=1S/C18H16N2O7S/c1-9-10(2)28-17(16(9)18(22)25-3)19-15(21)5-4-11-6-13-14(27-8-26-13)7-12(11)20(23)24/h4-7H,8H2,1-3H3,(H,19,21)/b5-4+