(3,4-dichlorophenyl)methyl (3S,7aS)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Systemtic Name: (3,4-dichlorophenyl)methyl (3S,7aS)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate Openeye Name: (3,4-dichlorophenyl)methyl (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylate CAS Name: (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate Traditional Name: (3S,7aS)-5-keto-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylic acid (3,4-dichlorobenzyl) ester Formula: C15H15Cl2NO3S MolecularWeight: 360.2555

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)N1C(CS2)C(=O)OCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C[C@]12CCC(=O)N1[C@H](CS2)C(=O)OCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C15H15Cl2NO3S/c1-15-5-4-13(19)18(15)12(8-22-15)14(20)21-7-9-2-3-10(16)11(17)6-9/h2-3,6,12H,4-5,7-8H2,1H3/t12-,15+/m1/s1