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

Systemtic Name: methyl 2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]acetic acid methyl ester Formula: C17H18BrNO3S MolecularWeight: 396.29872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CSCC(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CSCC(=O)OC

InChI

InChI=1S/C17H18BrNO3S/c1-11-8-15(16(20)9-23-10-17(21)22-3)12(2)19(11)14-6-4-13(18)5-7-14/h4-8H,9-10H2,1-3H3