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

Systemtic Name: ethyl 5-aminocarbonyl-2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-acryloyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N

InChI

InChI=1S/C20H17N3O6S/c1-3-27-20(26)15-10(2)16(17(22)24)30-19(15)23-18(25)12(8-21)6-11-4-5-13-14(7-11)29-9-28-13/h4-7H,3,9H2,1-2H3,(H2,22,24)(H,23,25)/b12-6+