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

Systemtic Name: 4-[[3-chloranyl-2-(naphthalen-2-ylsulfanylmethyl)-5-(oxolan-3-ylcarbonylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-chloro-2-(2-naphthylsulfanylmethyl)-5-(tetrahydrofuran-3-carbonylamino)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-chloro-2-[(2-naphthalenylthio)methyl]-5-[[oxo(3-oxolanyl)methyl]amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-chloro-2-(naphthalen-2-ylsulfanylmethyl)-5-(oxolane-3-carbonylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-chloro-2-[(2-naphthylthio)methyl]-5-(tetrahydrofuran-3-carbonylamino)indol-1-yl]methyl]benzoic acid Formula: C32H27ClN2O4S MolecularWeight: 571.08578

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1C(=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

C1COCC1C(=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/C32H27ClN2O4S/c33-30-27-16-25(34-31(36)24-13-14-39-18-24)10-12-28(27)35(17-20-5-7-22(8-6-20)32(37)38)29(30)19-40-26-11-9-21-3-1-2-4-23(21)15-26/h1-12,15-16,24H,13-14,17-19H2,(H,34,36)(H,37,38)