methyl 2-[2-[4-(phenylmethyl)sulfonylbutanoylimino]-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(phenylmethyl)sulfonylbutanoylimino]-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-benzylsulfonylbutanoylimino)-6-isopropyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1-oxo-4-(phenylmethyl)sulfonylbutyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-benzylsulfonylbutanoylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylsulfonylbutanoylimino)-6-isopropyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C24H28N2O5S2/c1-17(2)19-11-12-20-21(14-19)32-24(26(20)15-23(28)31-3)25-22(27)10-7-13-33(29,30)16-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17H,7,10,13,15-16H2,1-3H3