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

Systemtic Name: ethyl 4-[2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(m-tolylmethyl)indol-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-[(3-methylphenyl)methyl]-3-indolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(3-methylbenzyl)indol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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=CC(=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3S/c1-3-32-27(31)21-11-13-22(14-12-21)28-26(30)18-33-25-17-29(24-10-5-4-9-23(24)25)16-20-8-6-7-19(2)15-20/h4-15,17H,3,16,18H2,1-2H3,(H,28,30)