methyl 2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-morpholin-4-ylsulfonylbenzoyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H23N3O6S2 MolecularWeight: 501.57522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O6S2/c1-3-10-26-19-9-6-17(22(28)31-2)15-20(19)33-23(26)24-21(27)16-4-7-18(8-5-16)34(29,30)25-11-13-32-14-12-25/h3-9,15H,1,10-14H2,2H3