ethyl 2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiazole-4-carboxylate CAS Name: 2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-pyrrolidinosulfonylbenzoyl)amino]thiazole-4-carboxylic acid ethyl ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H19N3O5S2/c1-2-25-16(22)14-11-26-17(18-14)19-15(21)12-5-7-13(8-6-12)27(23,24)20-9-3-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,21)