methyl 2-[6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methoxy-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methoxy-2-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methoxy-2-(4-morpholin-4-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-methoxy-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H23N3O7S2 MolecularWeight: 505.56392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)S2)CC(=O)OC

InChI

InChI=1S/C22H23N3O7S2/c1-30-16-5-8-18-19(13-16)33-22(25(18)14-20(26)31-2)23-21(27)15-3-6-17(7-4-15)34(28,29)24-9-11-32-12-10-24/h3-8,13H,9-12,14H2,1-2H3