4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzene-1,3-dicarboxylic acid Openeye Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzene-1,3-dicarboxylic acid CAS Name: 4-[oxo-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)isophthalic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H14N2O5S/c19-13(18-16-17-11-3-1-2-4-12(11)24-16)9-6-5-8(14(20)21)7-10(9)15(22)23/h5-7H,1-4H2,(H,20,21)(H,22,23)(H,17,18,19)