ethyl 2-(3-propan-2-ylsulfonylphenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(3-propan-2-ylsulfonylphenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-(3-isopropylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(3-propan-2-ylsulfonylphenyl)methyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-propan-2-ylsulfonylbenzoyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(3-isopropylsulfonylbenzoyl)imino-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)C3=CC(=CC=C3)S(=O)(=O)C(C)C)S2)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5S2/c1-5-12-25-19-11-10-17(22(27)30-6-2)14-20(19)31-23(25)24-21(26)16-8-7-9-18(13-16)32(28,29)15(3)4/h5,7-11,13-15H,1,6,12H2,2-4H3