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

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

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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=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4Cl

InChI

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