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

Systemtic Name: methyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C18H14N2O5S/c1-10-12(8-19)17(26-16(10)18(22)23-2)20-15(21)6-4-11-3-5-13-14(7-11)25-9-24-13/h3-7H,9H2,1-2H3,(H,20,21)/b6-4+