4-[[2-[(3,4-dicarboxyphenyl)carbonylamino]-1,3-benzothiazol-6-yl]carbamoyl]phthalic acid

Systemtic Name: 4-[[2-[(3,4-dicarboxyphenyl)carbonylamino]-1,3-benzothiazol-6-yl]carbamoyl]phthalic acid Openeye Name: 4-[[2-[(3,4-dicarboxybenzoyl)amino]-1,3-benzothiazol-6-yl]carbamoyl]phthalic acid CAS Name: 4-[[[2-[[(3,4-dicarboxyphenyl)-oxomethyl]amino]-1,3-benzothiazol-6-yl]amino]-oxomethyl]phthalic acid IUPAC Name: 4-[[2-[(3,4-dicarboxybenzoyl)amino]-1,3-benzothiazol-6-yl]carbamoyl]phthalic acid Traditional Name: 4-[[2-[(3,4-dicarboxybenzoyl)amino]-1,3-benzothiazol-6-yl]carbamoyl]phthalic acid Formula: C25H15N3O10S MolecularWeight: 549.4657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C25H15N3O10S/c29-19(10-1-4-13(21(31)32)15(7-10)23(35)36)26-12-3-6-17-18(9-12)39-25(27-17)28-20(30)11-2-5-14(22(33)34)16(8-11)24(37)38/h1-9H,(H,26,29)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,27,28,30)