methyl 2-[2-(3-ethylsulfonylphenyl)carbonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(3-ethylsulfonylphenyl)carbonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-ethylsulfonylbenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-ethylsulfonylphenyl)-oxomethyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-ethylsulfonylbenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-esylbenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=CC(=CC(=C3S2)C)C)CC(=O)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=CC(=CC(=C3S2)C)C)CC(=O)OC

InChI

InChI=1S/C21H22N2O5S2/c1-5-30(26,27)16-8-6-7-15(11-16)20(25)22-21-23(12-18(24)28-4)17-10-13(2)9-14(3)19(17)29-21/h6-11H,5,12H2,1-4H3