ethyl 1-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[2-[(2-cyanophenyl)methylthio]ethylamino]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[2-[(2-cyanobenzyl)thio]ethylamino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCCSCC2=CC=CC=C2C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCCSCC2=CC=CC=C2C#N)C

InChI

InChI=1S/C21H25N3O3S/c1-4-27-21(26)19-11-15(2)24(16(19)3)13-20(25)23-9-10-28-14-18-8-6-5-7-17(18)12-22/h5-8,11H,4,9-10,13-14H2,1-3H3,(H,23,25)