ethyl 2-azanyl-5-[(3-methylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-azanyl-5-[(3-methylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-amino-5-[(3-methylsulfonylphenyl)methyl]thiazole-4-carboxylate CAS Name: 2-amino-5-[(3-methylsulfonylphenyl)methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-[(3-methylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-amino-5-(3-mesylbenzyl)thiazole-4-carboxylic acid ethyl ester Formula: C14H16N2O4S2 MolecularWeight: 340.41784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)N)CC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)N)CC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H16N2O4S2/c1-3-20-13(17)12-11(21-14(15)16-12)8-9-5-4-6-10(7-9)22(2,18)19/h4-7H,3,8H2,1-2H3,(H2,15,16)