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

Systemtic Name: 2-[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]butanedioic acid Openeye Name: 2-[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]butanedioic acid CAS Name: 2-[6-[anilino(oxo)methyl]-1,3-benzothiazol-2-yl]butanedioic acid IUPAC Name: 2-[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]butanedioic acid Traditional Name: 2-[6-(phenylcarbamoyl)-1,3-benzothiazol-2-yl]succinic acid Formula: C18H14N2O5S MolecularWeight: 370.37916

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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)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O5S/c21-15(22)9-12(18(24)25)17-20-13-7-6-10(8-14(13)26-17)16(23)19-11-4-2-1-3-5-11/h1-8,12H,9H2,(H,19,23)(H,21,22)(H,24,25)