[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C20H16N2O3S/c1-13-15-7-3-5-9-17(15)26-19(13)20(24)25-11-10-18(23)22-16-8-4-2-6-14(16)12-21/h2-9H,10-11H2,1H3,(H,22,23)