3-[2-[(2-methyl-9H-xanthen-9-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(2-methyl-9H-xanthen-9-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(2-methyl-9H-xanthen-9-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(2-methyl-9H-xanthen-9-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(2-methyl-9H-xanthen-9-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(2-methyl-9H-xanthen-9-yl)thio]acetyl]amino]benzoic acid Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3C2SCC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3C2SCC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

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