ethyl 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylacetate CAS Name: 2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylacetate Traditional Name: 2-[[1-(4-nitrobenzyl)indol-3-yl]thio]acetic acid ethyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O4S/c1-2-25-19(22)13-26-18-12-20(17-6-4-3-5-16(17)18)11-14-7-9-15(10-8-14)21(23)24/h3-10,12H,2,11,13H2,1H3