methyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]thiazole-5-carboxylic acid methyl ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

InChI

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