2-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid CAS Name: 2-[2-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid Formula: C19H17N3O4S3 MolecularWeight: 447.55098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(S1)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4S3)C(=O)O)C

Isomeric SMILES

CC1(C(NC(S1)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4S3)C(=O)O)C

InChI

InChI=1S/C19H17N3O4S3/c1-19(2)15(17(23)24)21-16(29-19)11-9-10(22(25)26)7-8-13(11)27-18-20-12-5-3-4-6-14(12)28-18/h3-9,15-16,21H,1-2H3,(H,23,24)