3-[(7-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-2-prop-2-enyl-butanedioate

Systemtic Name: 3-[(7-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-2-prop-2-enyl-butanedioate Openeye Name: 2-allyl-3-[(7-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-butanedioate CAS Name: 3-[(7-tert-butyl-1,3-benzothiazol-2-yl)thio]-2-methyl-2-prop-2-enylbutanedioate IUPAC Name: 3-[(7-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-2-prop-2-enylbutanedioate Traditional Name: 2-allyl-3-[(7-tert-butyl-1,3-benzothiazol-2-yl)thio]-2-methyl-succinate Formula: C19H21NO4S2-2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC=C1)N=C(S2)SC(C(=O)[O-])C(C)(CC=C)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C2C(=CC=C1)N=C(S2)SC(C(=O)[O-])C(C)(CC=C)C(=O)[O-]

InChI

InChI=1S/C19H23NO4S2/c1-6-10-19(5,16(23)24)14(15(21)22)26-17-20-12-9-7-8-11(13(12)25-17)18(2,3)4/h6-9,14H,1,10H2,2-5H3,(H,21,22)(H,23,24)/p-2