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

Systemtic Name: methyl 2-[2-(3-ethylsulfonylphenyl)carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-ethylsulfonylbenzoyl)imino-6-isopropyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-ethylsulfonylphenyl)-oxomethyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-ethylsulfonylbenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-esylbenzoyl)imino-6-isopropyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(C)C)CC(=O)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(C)C)CC(=O)OC

InChI

InChI=1S/C22H24N2O5S2/c1-5-31(27,28)17-8-6-7-16(11-17)21(26)23-22-24(13-20(25)29-4)18-10-9-15(14(2)3)12-19(18)30-22/h6-12,14H,5,13H2,1-4H3