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

Systemtic Name: 4-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]butyric acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-7-2-3-8-9(6-7)18-12(13-8)14-10(15)4-5-11(16)17/h7H,2-6H2,1H3,(H,16,17)(H,13,14,15)/t7-/m0/s1