2-[(5-aminocarbonyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(5-aminocarbonyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(5-carbamoyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(5-carbamoyl-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(5-carbamoyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(5-carbamoyl-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C12H10N2O5S2 MolecularWeight: 326.3482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)N)N=C(S2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)N)N=C(S2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H10N2O5S2/c13-10(17)5-1-2-7-6(3-5)14-12(20-7)21-8(11(18)19)4-9(15)16/h1-3,8H,4H2,(H2,13,17)(H,15,16)(H,18,19)