methyl 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H19N3O5S3 MolecularWeight: 465.56626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H19N3O5S3/c1-27-18(24)13-4-5-14-15(11-13)29-19(20-14)21-17(23)12-6-8-22(9-7-12)30(25,26)16-3-2-10-28-16/h2-5,10-12H,6-9H2,1H3,(H,20,21,23)