4-[[3-chloranyl-2-(naphthalen-2-ylsulfanylmethyl)-5-(phenylmethoxycarbonylamino)indol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-chloranyl-2-(naphthalen-2-ylsulfanylmethyl)-5-(phenylmethoxycarbonylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-(benzyloxycarbonylamino)-3-chloro-2-(2-naphthylsulfanylmethyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-chloro-2-[(2-naphthalenylthio)methyl]-5-(phenylmethoxycarbonylamino)-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-chloro-2-(naphthalen-2-ylsulfanylmethyl)-5-(phenylmethoxycarbonylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-(benzyloxycarbonylamino)-3-chloro-2-[(2-naphthylthio)methyl]indol-1-yl]methyl]benzoic acid Formula: C35H27ClN2O4S MolecularWeight: 607.11788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC3=C(C=C2)N(C(=C3Cl)CSC4=CC5=CC=CC=C5C=C4)CC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC3=C(C=C2)N(C(=C3Cl)CSC4=CC5=CC=CC=C5C=C4)CC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C35H27ClN2O4S/c36-33-30-19-28(37-35(41)42-21-24-6-2-1-3-7-24)15-17-31(30)38(20-23-10-12-26(13-11-23)34(39)40)32(33)22-43-29-16-14-25-8-4-5-9-27(25)18-29/h1-19H,20-22H2,(H,37,41)(H,39,40)