methyl 2-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[2-[[3-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-(2-naphthoylamino)phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H26N2O4S/c1-3-26(28(33)31-25-14-7-6-13-24(25)29(34)35-2)36-23-12-8-11-22(18-23)30-27(32)21-16-15-19-9-4-5-10-20(19)17-21/h4-18,26H,3H2,1-2H3,(H,30,32)(H,31,33)