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

Systemtic Name: methyl 5-aminocarbonyl-2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[(E)-2-cyano-3-(1H-indol-3-yl)-1-oxoprop-2-enyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[(E)-2-cyano-3-(1H-indol-3-yl)acryloyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CNC3=CC=CC=C32)C#N)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=CNC3=CC=CC=C32)/C#N)C(=O)N

InChI

InChI=1S/C20H16N4O4S/c1-10-15(20(27)28-2)19(29-16(10)17(22)25)24-18(26)11(8-21)7-12-9-23-14-6-4-3-5-13(12)14/h3-7,9,23H,1-2H3,(H2,22,25)(H,24,26)/b11-7+