(2R)-2-[[6-[(4-tert-butylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]pentanoate

Systemtic Name: (2R)-2-[[6-[(4-tert-butylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]pentanoate Openeye Name: (2R)-2-[[6-[(4-tert-butylbenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]pentanoate CAS Name: (2R)-2-[[6-[[(4-tert-butylphenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]pentanoate IUPAC Name: (2R)-2-[[6-[(4-tert-butylbenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]pentanoate Traditional Name: (2R)-2-[[6-[(4-tert-butylbenzoyl)amino]-1,3-benzothiazol-2-yl]thio]valerate Formula: C23H25N2O3S2- MolecularWeight: 441.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC[C@H](C(=O)[O-])SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H26N2O3S2/c1-5-6-18(21(27)28)29-22-25-17-12-11-16(13-19(17)30-22)24-20(26)14-7-9-15(10-8-14)23(2,3)4/h7-13,18H,5-6H2,1-4H3,(H,24,26)(H,27,28)/p-1/t18-/m1/s1