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

Systemtic Name: ethyl 4-[2-[1-(phenylmethyl)indol-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-benzylindol-3-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[1-(phenylmethyl)-3-indolyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-benzylindol-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-benzylindol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O3S/c1-2-31-26(30)20-12-14-21(15-13-20)27-25(29)18-32-24-17-28(16-19-8-4-3-5-9-19)23-11-7-6-10-22(23)24/h3-15,17H,2,16,18H2,1H3,(H,27,29)