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

Systemtic Name: ethyl 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)C1=C(N(C(=C1)C)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)CSCC(=O)C1=C(N(C(=C1)C)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C19H21NO5S/c1-4-23-19(22)10-26-9-16(21)15-7-12(2)20(13(15)3)14-5-6-17-18(8-14)25-11-24-17/h5-8H,4,9-11H2,1-3H3