methyl 2-(2-methylsulfonylphenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2-methylsulfonylphenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-(2-methylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2-methylsulfonylphenyl)-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylsulfonylbenzoyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(2-mesylbenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CC=C

InChI

InChI=1S/C20H18N2O5S2/c1-4-11-22-15-10-9-13(19(24)27-2)12-16(15)28-20(22)21-18(23)14-7-5-6-8-17(14)29(3,25)26/h4-10,12H,1,11H2,2-3H3