[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(4-methoxyphenyl)-5-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(4-methoxyphenyl)-5-methyl-thiophene-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-(4-methoxyphenyl)-5-methyl-thiophene-2-carboxylate CAS Name: 4-(4-methoxyphenyl)-5-methyl-2-thiophenecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate Traditional Name: 4-(4-methoxyphenyl)-5-methyl-thiophene-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)OCC(=O)N(CCC#N)CCC#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=C(S1)C(=O)OCC(=O)N(CCC#N)CCC#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H21N3O4S/c1-15-18(16-5-7-17(27-2)8-6-16)13-19(29-15)21(26)28-14-20(25)24(11-3-9-22)12-4-10-23/h5-8,13H,3-4,11-12,14H2,1-2H3