methyl 2-[6-ethyl-2-(4-ethylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-ethyl-2-(4-ethylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethyl-2-(4-ethylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[(4-ethylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethyl-2-(4-ethylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-esylbenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)CC)S2)CC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)CC)S2)CC(=O)OC

InChI

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