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

Systemtic Name: methyl 2-[6-methyl-2-(3-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-isopropylsulfonylbenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[oxo-(3-propan-2-ylsulfonylphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-(3-propan-2-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-isopropylsulfonylbenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C)S2)CC(=O)OC

Isomeric SMILES

CC1=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/C21H22N2O5S2/c1-13(2)30(26,27)16-7-5-6-15(11-16)20(25)22-21-23(12-19(24)28-4)17-9-8-14(3)10-18(17)29-21/h5-11,13H,12H2,1-4H3