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

Systemtic Name: ethyl 4-[2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(4-nitrobenzyl)indol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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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)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O5S/c1-2-34-26(31)19-9-11-20(12-10-19)27-25(30)17-35-24-16-28(23-6-4-3-5-22(23)24)15-18-7-13-21(14-8-18)29(32)33/h3-14,16H,2,15,17H2,1H3,(H,27,30)