methyl 2-[2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-morpholinosulfonylbenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-morpholin-4-ylsulfonylbenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-morpholinosulfonylbenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H20N4O8S2 MolecularWeight: 520.5355

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H20N4O8S2/c1-32-19(26)13-24-17-12-15(25(28)29)4-7-18(17)34-21(24)22-20(27)14-2-5-16(6-3-14)35(30,31)23-8-10-33-11-9-23/h2-7,12H,8-11,13H2,1H3