2-[2-[(2-methyl-9H-xanthen-9-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(2-methyl-9H-xanthen-9-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[(2-methyl-9H-xanthen-9-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[(2-methyl-9H-xanthen-9-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[(2-methyl-9H-xanthen-9-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[(2-methyl-9H-xanthen-9-yl)thio]acetyl]amino]benzoic acid Formula: C23H19NO4S MolecularWeight: 405.46626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3C2SCC(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3C2SCC(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H19NO4S/c1-14-10-11-20-17(12-14)22(16-7-3-5-9-19(16)28-20)29-13-21(25)24-18-8-4-2-6-15(18)23(26)27/h2-12,22H,13H2,1H3,(H,24,25)(H,26,27)