4-oxidanylidene-2-[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]-4-sulfanyl-butanoic acid

Systemtic Name: 4-oxidanylidene-2-[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]-4-sulfanyl-butanoic acid Openeye Name: 4-oxo-2-[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]-4-sulfanyl-butanoic acid CAS Name: 2-[6-[anilino(oxo)methyl]-1,3-benzothiazol-2-yl]-4-mercapto-4-oxobutanoic acid IUPAC Name: 4-oxo-2-[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]-4-sulfanylbutanoic acid Traditional Name: 4-keto-4-mercapto-2-[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]butyric acid Formula: C18H14N2O4S2 MolecularWeight: 386.44476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C18H14N2O4S2/c21-15(25)9-12(18(23)24)17-20-13-7-6-10(8-14(13)26-17)16(22)19-11-4-2-1-3-5-11/h1-8,12H,9H2,(H,19,22)(H,21,25)(H,23,24)