methyl (2R)-3-methyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]butanoate

Systemtic Name: methyl (2R)-3-methyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]butanoate Openeye Name: methyl (2R)-2-[benzyl-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-methyl-butanoate CAS Name: (2R)-3-methyl-2-[[2-(pentylthio)-1,3-benzothiazol-6-yl]sulfonyl-(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[benzyl-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[2-(amylthio)-1,3-benzothiazol-6-yl]sulfonyl-benzyl-amino]-3-methyl-butyric acid methyl ester Formula: C25H32N2O4S3 MolecularWeight: 520.72758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(C(C)C)C(=O)OC

Isomeric SMILES

CCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)[C@H](C(C)C)C(=O)OC

InChI

InChI=1S/C25H32N2O4S3/c1-5-6-10-15-32-25-26-21-14-13-20(16-22(21)33-25)34(29,30)27(17-19-11-8-7-9-12-19)23(18(2)3)24(28)31-4/h7-9,11-14,16,18,23H,5-6,10,15,17H2,1-4H3/t23-/m1/s1