4-[2-(2-chloranylphenothiazin-10-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(2-chloranylphenothiazin-10-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(2-chlorophenothiazin-10-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(2-chloro-10-phenothiazinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(2-chlorophenothiazin-10-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(2-chlorophenothiazin-10-yl)acetyl]amino]benzoic acid Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H15ClN2O3S/c22-14-7-10-19-17(11-14)24(16-3-1-2-4-18(16)28-19)12-20(25)23-15-8-5-13(6-9-15)21(26)27/h1-11H,12H2,(H,23,25)(H,26,27)