[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 5-morpholino-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate Traditional Name: 5-morpholino-4-phenyl-thiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c1-20(25(31)30(14-8-13-28)22-11-6-3-7-12-22)34-27(32)24-19-23(21-9-4-2-5-10-21)26(35-24)29-15-17-33-18-16-29/h2-7,9-12,19-20H,8,14-18H2,1H3