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

Systemtic Name: ethyl 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S3/c1-2-28-19(25)14-5-6-15-16(12-14)30-20(21-15)22-18(24)13-7-9-23(10-8-13)31(26,27)17-4-3-11-29-17/h3-6,11-13H,2,7-10H2,1H3,(H,21,22,24)