methyl 2-[6-butyl-2-(3-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-butyl-2-(3-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-butyl-2-(3-isopropylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[oxo-(3-propan-2-ylsulfonylphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-butyl-2-(3-propan-2-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-(3-isopropylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C)S2)CC(=O)OC

InChI

InChI=1S/C24H28N2O5S2/c1-5-6-8-17-11-12-20-21(13-17)32-24(26(20)15-22(27)31-4)25-23(28)18-9-7-10-19(14-18)33(29,30)16(2)3/h7,9-14,16H,5-6,8,15H2,1-4H3