2-[[5-(ethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioic acid

Systemtic Name: 2-[[5-(ethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioic acid Openeye Name: 2-[[5-(ethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioic acid CAS Name: 2-[[[5-(ethylamino)-1,3-benzothiazol-2-yl]thio]methyl]butanedioic acid IUPAC Name: 2-[[5-(ethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioic acid Traditional Name: 2-[[[5-(ethylamino)-1,3-benzothiazol-2-yl]thio]methyl]succinic acid Formula: C14H16N2O4S2 MolecularWeight: 340.41784

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1)SC(=N2)SCC(CC(=O)O)C(=O)O

Isomeric SMILES

CCNC1=CC2=C(C=C1)SC(=N2)SCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H16N2O4S2/c1-2-15-9-3-4-11-10(6-9)16-14(22-11)21-7-8(13(19)20)5-12(17)18/h3-4,6,8,15H,2,5,7H2,1H3,(H,17,18)(H,19,20)