methyl 4-[2-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]amino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[[1-(2-thienylsulfonyl)prolyl]amino]thiazol-4-yl]benzoic acid methyl ester Formula: C20H19N3O5S3 MolecularWeight: 477.57696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H19N3O5S3/c1-28-19(25)14-8-6-13(7-9-14)15-12-30-20(21-15)22-18(24)16-4-2-10-23(16)31(26,27)17-5-3-11-29-17/h3,5-9,11-12,16H,2,4,10H2,1H3,(H,21,22,24)