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

Systemtic Name: 4-[[5-acetamido-3-chloranyl-2-(naphthalen-2-ylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-acetamido-3-chloro-2-(2-naphthylsulfanylmethyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-acetamido-3-chloro-2-[(2-naphthalenylthio)methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[5-acetamido-3-chloro-2-(naphthalen-2-ylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-acetamido-3-chloro-2-[(2-naphthylthio)methyl]indol-1-yl]methyl]benzoic acid Formula: C29H23ClN2O3S MolecularWeight: 515.02252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=C2Cl)CSC3=CC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=C2Cl)CSC3=CC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H23ClN2O3S/c1-18(33)31-23-11-13-26-25(15-23)28(30)27(32(26)16-19-6-8-21(9-7-19)29(34)35)17-36-24-12-10-20-4-2-3-5-22(20)14-24/h2-15H,16-17H2,1H3,(H,31,33)(H,34,35)