4-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-4-keto-butyric acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=N2)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=N2)NC(=O)CCC(=O)O

InChI

InChI=1S/C15H22N2O3S/c1-15(2,3)9-4-5-10-11(8-9)21-14(16-10)17-12(18)6-7-13(19)20/h9H,4-8H2,1-3H3,(H,19,20)(H,16,17,18)/t9-/m0/s1