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

Systemtic Name: methyl 5-aminocarbonyl-2-[[(E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[[(E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[(E)-2-cyano-3-(1-methyl-2-pyrrolyl)-1-oxoprop-2-enyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[[(E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[(E)-2-cyano-3-(1-methylpyrrol-2-yl)acryloyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H16N4O4S MolecularWeight: 372.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=CN2C)C#N)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=CC=CN2C)/C#N)C(=O)N

InChI

InChI=1S/C17H16N4O4S/c1-9-12(17(24)25-3)16(26-13(9)14(19)22)20-15(23)10(8-18)7-11-5-4-6-21(11)2/h4-7H,1-3H3,(H2,19,22)(H,20,23)/b10-7+