[(1R,3S,4S)-3,4-dimethylcyclohexyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: [(1R,3S,4S)-3,4-dimethylcyclohexyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate Openeye Name: [(1R,3S,4S)-3,4-dimethylcyclohexyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxo-butanoate CAS Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid [(1R,3S,4S)-3,4-dimethylcyclohexyl] ester IUPAC Name: [(1R,3S,4S)-3,4-dimethylcyclohexyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate Traditional Name: 4-(1,3-benzothiazol-2-ylamino)-4-keto-butyric acid [(1R,3S,4S)-3,4-dimethylcyclohexyl] ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1C)OC(=O)CCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H]1CC[C@H](C[C@@H]1C)OC(=O)CCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H24N2O3S/c1-12-7-8-14(11-13(12)2)24-18(23)10-9-17(22)21-19-20-15-5-3-4-6-16(15)25-19/h3-6,12-14H,7-11H2,1-2H3,(H,20,21,22)/t12-,13-,14+/m0/s1