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

Systemtic Name: methyl 2-[[(E)-3-(6-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C17H11ClN2O5S MolecularWeight: 390.79764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC3=C(C=C2Cl)OCO3)C#N

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=CC3=C(C=C2Cl)OCO3)/C#N

InChI

InChI=1S/C17H11ClN2O5S/c1-23-17(22)11-2-3-26-16(11)20-15(21)10(7-19)4-9-5-13-14(6-12(9)18)25-8-24-13/h2-6H,8H2,1H3,(H,20,21)/b10-4+