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

Systemtic Name: 4-[[3-chloranyl-2-(naphthalen-2-ylsulfanylmethyl)-5-(thiophen-3-ylcarbonylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-chloro-2-(2-naphthylsulfanylmethyl)-5-(thiophene-3-carbonylamino)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-chloro-2-[(2-naphthalenylthio)methyl]-5-[[oxo(3-thiophenyl)methyl]amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-chloro-2-(naphthalen-2-ylsulfanylmethyl)-5-(thiophene-3-carbonylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-chloro-2-[(2-naphthylthio)methyl]-5-(3-thenoylamino)indol-1-yl]methyl]benzoic acid Formula: C32H23ClN2O3S2 MolecularWeight: 583.11962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCC3=C(C4=C(N3CC5=CC=C(C=C5)C(=O)O)C=CC(=C4)NC(=O)C6=CSC=C6)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCC3=C(C4=C(N3CC5=CC=C(C=C5)C(=O)O)C=CC(=C4)NC(=O)C6=CSC=C6)Cl

InChI

InChI=1S/C32H23ClN2O3S2/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/h1-16,18H,17,19H2,(H,34,36)(H,37,38)