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

Systemtic Name: 2-[[5-(diethylcarbamoyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Openeye Name: 2-[[5-(diethylcarbamoyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid CAS Name: 2-[[5-[diethylamino(oxo)methyl]-1,3-benzothiazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[[5-(diethylcarbamoyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Traditional Name: 2-[[5-(diethylcarbamoyl)-1,3-benzothiazol-2-yl]thio]succinic acid Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)SC(=N2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)SC(=N2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H18N2O5S2/c1-3-18(4-2)14(21)9-5-6-11-10(7-9)17-16(24-11)25-12(15(22)23)8-13(19)20/h5-7,12H,3-4,8H2,1-2H3,(H,19,20)(H,22,23)