ethyl 2-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(2-thienylsulfonyl)prolyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H19N3O5S3 MolecularWeight: 465.56626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H19N3O5S3/c1-2-27-18(24)12-7-8-13-15(11-12)29-19(20-13)21-17(23)14-5-3-9-22(14)30(25,26)16-6-4-10-28-16/h4,6-8,10-11,14H,2-3,5,9H2,1H3,(H,20,21,23)