1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H28N2O3S/c1-15(2)21(26-22(27)16-10-12-17(13-11-16)24(3,4)5)23(28)29-14-20-25-18-8-6-7-9-19(18)30-20/h6-13,15,21H,14H2,1-5H3,(H,26,27)/t21-/m0/s1