methyl 4-methoxy-3-[2-[(5-phenylmethoxy-2,3-dihydroindol-1-yl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methoxy-3-[2-[(5-phenylmethoxy-2,3-dihydroindol-1-yl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(5-benzyloxyindolin-1-yl)methylsulfanyl]acetyl]amino]-4-methoxy-benzoate CAS Name: 4-methoxy-3-[[1-oxo-2-[(5-phenylmethoxy-2,3-dihydroindol-1-yl)methylthio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methoxy-3-[[2-[(5-phenylmethoxy-2,3-dihydroindol-1-yl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-benzoxyindolin-1-yl)methylthio]acetyl]amino]-4-methoxy-benzoic acid methyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCN2CCC3=C2C=CC(=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCN2CCC3=C2C=CC(=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c1-32-25-11-8-21(27(31)33-2)15-23(25)28-26(30)17-35-18-29-13-12-20-14-22(9-10-24(20)29)34-16-19-6-4-3-5-7-19/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,28,30)