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

Systemtic Name: 2-[[4-[(5-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: 2-[[4-[(5-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]thiazol-2-yl]carbamoyl]benzoate CAS Name: 2-[[[4-[[(5-nitro-1,3-benzothiazol-2-yl)thio]methyl]-2-thiazolyl]amino]-oxomethyl]benzoate IUPAC Name: 2-[[4-[(5-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoate Traditional Name: 2-[[4-[[(5-nitro-1,3-benzothiazol-2-yl)thio]methyl]thiazol-2-yl]carbamoyl]benzoate Formula: C19H11N4O5S3- MolecularWeight: 471.50944

Click to see the large picture

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)/p-1