ethyl 2-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=C(C(=C(N1C2CCCC2)C)C)C#N

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=C(C(=C(N1C2CCCC2)C)C)C#N

InChI

InChI=1S/C18H25N3O3S/c1-4-24-17(23)11-25-10-16(22)20-18-15(9-19)12(2)13(3)21(18)14-7-5-6-8-14/h14H,4-8,10-11H2,1-3H3,(H,20,22)