3-[6-[(3-methyl-2H-1,3-benzothiazol-2-yl)amino]benzotriazol-1-yl]oxy-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[6-[(3-methyl-2H-1,3-benzothiazol-2-yl)amino]benzotriazol-1-yl]oxy-3-oxidanylidene-propanoic acid Openeye Name: 3-[6-[(3-methyl-2H-1,3-benzothiazol-2-yl)amino]benzotriazol-1-yl]oxy-3-oxo-propanoic acid CAS Name: 3-[[6-[(3-methyl-2H-1,3-benzothiazol-2-yl)amino]-1-benzotriazolyl]oxy]-3-oxopropanoic acid IUPAC Name: 3-[6-[(3-methyl-2H-1,3-benzothiazol-2-yl)amino]benzotriazol-1-yl]oxy-3-oxopropanoic acid Traditional Name: 3-keto-3-[6-[(3-methyl-2H-1,3-benzothiazol-2-yl)amino]benzotriazol-1-yl]oxy-propionic acid Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(SC2=CC=CC=C21)NC3=CC4=C(C=C3)N=NN4OC(=O)CC(=O)O

Isomeric SMILES

CN1C(SC2=CC=CC=C21)NC3=CC4=C(C=C3)N=NN4OC(=O)CC(=O)O

InChI

InChI=1S/C17H15N5O4S/c1-21-12-4-2-3-5-14(12)27-17(21)18-10-6-7-11-13(8-10)22(20-19-11)26-16(25)9-15(23)24/h2-8,17-18H,9H2,1H3,(H,23,24)