4-[3-(1,3-benzothiazol-2-yl)-1-chloranyl-6-methyl-2-oxidanylidene-3,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid

Systemtic Name: 4-[3-(1,3-benzothiazol-2-yl)-1-chloranyl-6-methyl-2-oxidanylidene-3,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid Openeye Name: 4-[3-(1,3-benzothiazol-2-yl)-1-chloro-6-methyl-2-oxo-3,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid CAS Name: 4-[3-(1,3-benzothiazol-2-yl)-1-chloro-6-methyl-2-oxo-3,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid IUPAC Name: 4-[3-(1,3-benzothiazol-2-yl)-1-chloro-6-methyl-2-oxo-3,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid Traditional Name: 4-[3-(1,3-benzothiazol-2-yl)-1-chloro-2-keto-6-methyl-3,7,8-triazaspiro[3.4]oct-6-en-8-yl]besylic acid Formula: C19H15ClN4O4S2 MolecularWeight: 462.9298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C19H15ClN4O4S2/c1-11-10-19(24(22-11)12-6-8-13(9-7-12)30(26,27)28)16(20)17(25)23(19)18-21-14-4-2-3-5-15(14)29-18/h2-9,16H,10H2,1H3,(H,26,27,28)