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

Systemtic Name: methyl 2-[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-12-13(2)21(14-7-5-4-6-8-14)18(15(12)9-19)20-16(22)10-25-11-17(23)24-3/h4-8H,10-11H2,1-3H3,(H,20,22)