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

Systemtic Name: methyl 5-aminocarbonyl-2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H15N3O6S MolecularWeight: 413.4039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O6S/c1-9-14(19(25)26-2)18(29-15(9)16(21)23)22-17(24)11(7-20)5-10-3-4-12-13(6-10)28-8-27-12/h3-6H,8H2,1-2H3,(H2,21,23)(H,22,24)/b11-5+