ethyl 4-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H28N2O3S MolecularWeight: 472.59852

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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=C(C=CC(=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O3S/c1-4-33-28(32)21-11-13-23(14-12-21)29-27(31)18-34-26-17-30(25-8-6-5-7-24(25)26)16-22-15-19(2)9-10-20(22)3/h5-15,17H,4,16,18H2,1-3H3,(H,29,31)