ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-[(4-chlorophenyl)methyl]-3-indolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(4-chlorobenzyl)indol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H23ClN2O3S MolecularWeight: 478.99042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H23ClN2O3S/c1-2-32-26(31)19-9-13-21(14-10-19)28-25(30)17-33-24-16-29(23-6-4-3-5-22(23)24)15-18-7-11-20(27)12-8-18/h3-14,16H,2,15,17H2,1H3,(H,28,30)