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

Systemtic Name: ethyl 4-[2-[1-(2-benzamidoethyl)indol-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(2-benzamidoethyl)indol-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(2-benzamidoethyl)-3-indolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(2-benzamidoethyl)indol-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2-benzamidoethyl)indol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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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)CCNC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O4S/c1-2-35-28(34)21-12-14-22(15-13-21)30-26(32)19-36-25-18-31(24-11-7-6-10-23(24)25)17-16-29-27(33)20-8-4-3-5-9-20/h3-15,18H,2,16-17,19H2,1H3,(H,29,33)(H,30,32)