ethyl 2-[2-(phenylmethyl)sulfonylethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(phenylmethyl)sulfonylethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-(2-benzylsulfonylacetyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1-oxo-2-(phenylmethyl)sulfonylethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-benzylsulfonylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(2-benzylsulfonylacetyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC=C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC=C

InChI

InChI=1S/C22H22N2O5S2/c1-3-12-24-18-11-10-17(21(26)29-4-2)13-19(18)30-22(24)23-20(25)15-31(27,28)14-16-8-6-5-7-9-16/h3,5-11,13H,1,4,12,14-15H2,2H3