methyl 4-methoxy-3-[3-[1-(2-naphthalen-2-yloxyethanoyl)-5-phenylmethoxy-2,3-dihydroindol-2-yl]propanethioylamino]benzoate

Systemtic Name: methyl 4-methoxy-3-[3-[1-(2-naphthalen-2-yloxyethanoyl)-5-phenylmethoxy-2,3-dihydroindol-2-yl]propanethioylamino]benzoate Openeye Name: methyl 3-[3-[5-benzyloxy-1-[2-(2-naphthyloxy)acetyl]indolin-2-yl]propanethioylamino]-4-methoxy-benzoate CAS Name: 4-methoxy-3-[[3-[1-[2-(2-naphthalenyloxy)-1-oxoethyl]-5-phenylmethoxy-2,3-dihydroindol-2-yl]-1-sulfanylidenepropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methoxy-3-[3-[1-(2-naphthalen-2-yloxyacetyl)-5-phenylmethoxy-2,3-dihydroindol-2-yl]propanethioylamino]benzoate Traditional Name: 3-[3-[5-benzoxy-1-[2-(2-naphthoxy)acetyl]indolin-2-yl]propanethioylamino]-4-methoxy-benzoic acid methyl ester Formula: C39H36N2O6S MolecularWeight: 660.77794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC)NC(=S)CCC2CC3=C(N2C(=O)COC4=CC5=CC=CC=C5C=C4)C=CC(=C3)OCC6=CC=CC=C6

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC)NC(=S)CCC2CC3=C(N2C(=O)COC4=CC5=CC=CC=C5C=C4)C=CC(=C3)OCC6=CC=CC=C6

InChI

InChI=1S/C39H36N2O6S/c1-44-36-18-13-29(39(43)45-2)23-34(36)40-37(48)19-14-31-20-30-22-33(46-24-26-8-4-3-5-9-26)16-17-35(30)41(31)38(42)25-47-32-15-12-27-10-6-7-11-28(27)21-32/h3-13,15-18,21-23,31H,14,19-20,24-25H2,1-2H3,(H,40,48)