2-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(phenylcarbamoyl)butanedioic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(phenylcarbamoyl)butanedioic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(phenylcarbamoyl)butanedioic acid CAS Name: 2-[anilino(oxo)methyl]-2-[(1,3-benzothiazol-2-ylthio)methyl]butanedioic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(phenylcarbamoyl)butanedioic acid Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-2-(phenylcarbamoyl)succinic acid Formula: C19H16N2O5S2 MolecularWeight: 416.47074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CC(=O)O)(CSC2=NC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C(CC(=O)O)(CSC2=NC3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C19H16N2O5S2/c22-15(23)10-19(17(25)26,16(24)20-12-6-2-1-3-7-12)11-27-18-21-13-8-4-5-9-14(13)28-18/h1-9H,10-11H2,(H,20,24)(H,22,23)(H,25,26)