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

Systemtic Name: methyl 2-[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl]thio]acetic acid methyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSCC(=O)OC)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSCC(=O)OC)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C19H21N3O4S/c1-12-13(2)22(14-5-7-15(25-3)8-6-14)19(16(12)9-20)21-17(23)10-27-11-18(24)26-4/h5-8H,10-11H2,1-4H3,(H,21,23)