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

Systemtic Name: ethyl 2-[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=C(C(=C(N1C2=CC=CC=C2)C)C)C#N

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=C(C(=C(N1C2=CC=CC=C2)C)C)C#N

InChI

InChI=1S/C19H21N3O3S/c1-4-25-18(24)12-26-11-17(23)21-19-16(10-20)13(2)14(3)22(19)15-8-6-5-7-9-15/h5-9H,4,11-12H2,1-3H3,(H,21,23)