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

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[2-(benzylthio)ethylamino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCCSCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCCSCC2=CC=CC=C2)C

InChI

InChI=1S/C20H26N2O3S/c1-4-25-20(24)18-12-15(2)22(16(18)3)13-19(23)21-10-11-26-14-17-8-6-5-7-9-17/h5-9,12H,4,10-11,13-14H2,1-3H3,(H,21,23)