2-[(4,5-dimethyl-7-propoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid

Systemtic Name: 2-[(4,5-dimethyl-7-propoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid Openeye Name: 2-[(4,5-dimethyl-7-propoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid CAS Name: 2-[[(4,5-dimethyl-7-propoxy-1,3-benzothiazol-2-yl)thio]methyl]butanedioic acid IUPAC Name: 2-[(4,5-dimethyl-7-propoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid Traditional Name: 2-[[(4,5-dimethyl-7-propoxy-1,3-benzothiazol-2-yl)thio]methyl]succinic acid Formula: C17H21NO5S2 MolecularWeight: 383.48234

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=C(C(=C1)C)C)N=C(S2)SCC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCOC1=C2C(=C(C(=C1)C)C)N=C(S2)SCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H21NO5S2/c1-4-5-23-12-6-9(2)10(3)14-15(12)25-17(18-14)24-8-11(16(21)22)7-13(19)20/h6,11H,4-5,7-8H2,1-3H3,(H,19,20)(H,21,22)