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

Systemtic Name: methyl (2R)-2-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]-3-methyl-butanoate Openeye Name: methyl (2R)-2-[benzyl-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[2-(butylthio)-1,3-benzothiazol-6-yl]sulfonyl-(phenylmethyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[benzyl-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[benzyl-[[2-(butylthio)-1,3-benzothiazol-6-yl]sulfonyl]amino]-3-methyl-butyric acid methyl ester Formula: C24H30N2O4S3 MolecularWeight: 506.701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(C(C)C)C(=O)OC

Isomeric SMILES

CCCCSC1=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/C24H30N2O4S3/c1-5-6-14-31-24-25-20-13-12-19(15-21(20)32-24)33(28,29)26(16-18-10-8-7-9-11-18)22(17(2)3)23(27)30-4/h7-13,15,17,22H,5-6,14,16H2,1-4H3/t22-/m1/s1