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

Systemtic Name: methyl 2-[6-ethoxy-2-(3-ethylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-(3-ethylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(3-ethylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-(3-ethylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-esylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)CC)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)CC)S2)CC(=O)OC

InChI

InChI=1S/C21H22N2O6S2/c1-4-29-15-9-10-17-18(12-15)30-21(23(17)13-19(24)28-3)22-20(25)14-7-6-8-16(11-14)31(26,27)5-2/h6-12H,4-5,13H2,1-3H3