2-[4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-2-nitro-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-2-nitro-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-2-nitro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[[(2-methyl-1,3-benzothiazol-6-yl)amino]-oxomethyl]-2-nitrophenyl]thio]acetic acid IUPAC Name: 2-[4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-2-nitrophenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-2-nitro-phenyl]thio]acetic acid Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S2/c1-9-18-12-4-3-11(7-15(12)27-9)19-17(23)10-2-5-14(26-8-16(21)22)13(6-10)20(24)25/h2-7H,8H2,1H3,(H,19,23)(H,21,22)