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

Systemtic Name: methyl 2-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H17N3O5S3 MolecularWeight: 451.53968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S3/c1-26-17(23)11-6-7-12-14(10-11)28-18(19-12)20-16(22)13-4-2-8-21(13)29(24,25)15-5-3-9-27-15/h3,5-7,9-10,13H,2,4,8H2,1H3,(H,19,20,22)