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

Systemtic Name: methyl 2-[2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-morpholin-4-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21N3O6S2/c1-29-19(25)14-24-17-4-2-3-5-18(17)31-21(24)22-20(26)15-6-8-16(9-7-15)32(27,28)23-10-12-30-13-11-23/h2-9H,10-14H2,1H3