[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-oxo-ethyl] 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3OC

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3OC

InChI

InChI=1S/C22H24N2O4S/c1-15-8-9-19-16(12-15)13-20(29-19)22(26)28-14-21(25)24(11-5-10-23)17-6-3-4-7-18(17)27-2/h3-4,6-7,13,15H,5,8-9,11-12,14H2,1-2H3