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

Systemtic Name: methyl 2-[2-(3-ethylsulfonylphenyl)carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-ethylsulfonylbenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-ethylsulfonylphenyl)-oxomethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-ethylsulfonylbenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-esylbenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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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)OC)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S2/c1-4-30(25,26)15-7-5-6-13(10-15)19(24)21-20-22(12-18(23)28-3)16-9-8-14(27-2)11-17(16)29-20/h5-11H,4,12H2,1-3H3