ethyl 2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]thiazole-4-carboxylate CAS Name: 2-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]thiazole-4-carboxylic acid ethyl ester Formula: C17H18ClN3O5S2 MolecularWeight: 443.92492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O5S2/c1-2-26-16(23)13-10-27-17(19-13)20-15(22)11-5-6-12(18)14(9-11)28(24,25)21-7-3-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20,22)