propan-2-yl 2-[[(E)-2-cyano-3-(2-iodanylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-2-cyano-3-(2-iodanylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-2-cyano-3-(2-iodophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(2-iodophenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-2-cyano-3-(2-iodophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2-iodophenyl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C18H15IN2O3S MolecularWeight: 466.29277

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC=CC=C2I)C#N

Isomeric SMILES

CC(C)OC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=CC=CC=C2I)/C#N

InChI

InChI=1S/C18H15IN2O3S/c1-11(2)24-18(23)14-7-8-25-17(14)21-16(22)13(10-20)9-12-5-3-4-6-15(12)19/h3-9,11H,1-2H3,(H,21,22)/b13-9+