(3-morpholin-4-ylsulfonylphenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H21N3O5S2/c1-2-6-19-18-20-16(13-27-18)17(22)26-12-14-4-3-5-15(11-14)28(23,24)21-7-9-25-10-8-21/h2-5,11,13H,1,6-10,12H2,(H,19,20)