2-[[4-[(5-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[(5-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[(5-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]thiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[4-[[(5-nitro-1,3-benzothiazol-2-yl)thio]methyl]-2-thiazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[(5-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[(5-nitro-1,3-benzothiazol-2-yl)thio]methyl]thiazol-2-yl]carbamoyl]benzoic acid Formula: C19H12N4O5S3 MolecularWeight: 472.51738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)CSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)CSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H12N4O5S3/c24-16(12-3-1-2-4-13(12)17(25)26)22-18-20-10(8-29-18)9-30-19-21-14-7-11(23(27)28)5-6-15(14)31-19/h1-8H,9H2,(H,25,26)(H,20,22,24)