2-[[(7aR)-7aH-1,3-benzothiazol-2-yl]diazenyl]-5-(dimethylamino)benzoic acid

Systemtic Name: 2-[[(7aR)-7aH-1,3-benzothiazol-2-yl]diazenyl]-5-(dimethylamino)benzoic acid Openeye Name: 2-[[(7aR)-7aH-1,3-benzothiazol-2-yl]azo]-5-(dimethylamino)benzoic acid CAS Name: 2-[[(7aR)-7aH-1,3-benzothiazol-2-yl]azo]-5-(dimethylamino)benzoic acid IUPAC Name: 2-[[(7aR)-7aH-1,3-benzothiazol-2-yl]diazenyl]-5-(dimethylamino)benzoic acid Traditional Name: 2-[[(7aR)-7aH-1,3-benzothiazol-2-yl]azo]-5-(dimethylamino)benzoic acid Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)N=NC2=NC3=CC=C=CC3S2)C(=O)O

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)N=NC2=NC3=CC=C=C[C@H]3S2)C(=O)O

InChI

InChI=1S/C16H14N4O2S/c1-20(2)10-7-8-12(11(9-10)15(21)22)18-19-16-17-13-5-3-4-6-14(13)23-16/h3,5-9,14H,1-2H3,(H,21,22)/t14-/m1/s1