2-[(4-propan-2-yl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(4-propan-2-yl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(4-isopropyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(4-propan-2-yl-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(4-propan-2-yl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(4-isopropyl-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H15NO4S2/c1-7(2)8-4-3-5-9-12(8)15-14(20-9)21-10(13(18)19)6-11(16)17/h3-5,7,10H,6H2,1-2H3,(H,16,17)(H,18,19)