ethyl 2-[4-(phenylsulfonyl)butanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(phenylsulfonyl)butanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-[4-(benzenesulfonyl)butanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-(benzenesulfonyl)-1-oxobutyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzenesulfonyl)butanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(4-besylbutanoylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC=C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC=C

InChI

InChI=1S/C23H24N2O5S2/c1-3-14-25-19-13-12-17(22(27)30-4-2)16-20(19)31-23(25)24-21(26)11-8-15-32(28,29)18-9-6-5-7-10-18/h3,5-7,9-10,12-13,16H,1,4,8,11,14-15H2,2H3