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

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

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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=C4C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4C

InChI

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