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

Systemtic Name: methyl (2R)-2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]-3-methyl-butanoate Openeye Name: methyl (2R)-2-[benzyl-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[2-(hexylthio)-1,3-benzothiazol-6-yl]sulfonyl-(phenylmethyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[benzyl-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[benzyl-[[2-(hexylthio)-1,3-benzothiazol-6-yl]sulfonyl]amino]-3-methyl-butyric acid methyl ester Formula: C26H34N2O4S3 MolecularWeight: 534.75416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(C(C)C)C(=O)OC

Isomeric SMILES

CCCCCCSC1=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/C26H34N2O4S3/c1-5-6-7-11-16-33-26-27-22-15-14-21(17-23(22)34-26)35(30,31)28(18-20-12-9-8-10-13-20)24(19(2)3)25(29)32-4/h8-10,12-15,17,19,24H,5-7,11,16,18H2,1-4H3/t24-/m1/s1