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

Systemtic Name: ethyl 4-[2-[1-[2-(naphthalen-2-ylcarbonylamino)ethyl]indol-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-[2-(naphthalene-2-carbonylamino)ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-[2-[[2-naphthalenyl(oxo)methyl]amino]ethyl]-3-indolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-[2-(naphthalene-2-carbonylamino)ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-[2-(2-naphthoylamino)ethyl]indol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C32H29N3O4S MolecularWeight: 551.65536

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C32H29N3O4S/c1-2-39-32(38)23-13-15-26(16-14-23)34-30(36)21-40-29-20-35(28-10-6-5-9-27(28)29)18-17-33-31(37)25-12-11-22-7-3-4-8-24(22)19-25/h3-16,19-20H,2,17-18,21H2,1H3,(H,33,37)(H,34,36)