3-cyanopropyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: 3-cyanopropyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: 3-cyanopropyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobut-2-enyl)amino]-4-phenyl-3-thiophenecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid 3-cyanopropyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCCCC#N)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCCCC#N)C

InChI

InChI=1S/C20H20N2O3S/c1-14(2)12-17(23)22-19-18(20(24)25-11-7-6-10-21)16(13-26-19)15-8-4-3-5-9-15/h3-5,8-9,12-13H,6-7,11H2,1-2H3,(H,22,23)