2-[[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid

Systemtic Name: 2-[[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Openeye Name: 2-[[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid CAS Name: 2-[[6-[anilino(oxo)methyl]-1,3-benzothiazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Traditional Name: 2-[[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]thio]succinic acid Formula: C18H14N2O5S2 MolecularWeight: 402.44416

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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)SC(CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O5S2/c21-15(22)9-14(17(24)25)27-18-20-12-7-6-10(8-13(12)26-18)16(23)19-11-4-2-1-3-5-11/h1-8,14H,9H2,(H,19,23)(H,21,22)(H,24,25)