methyl 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S2/c1-26-20(25)18-15(8-11-27-18)21-17(24)12-23-9-6-13(7-10-23)19-22-14-4-2-3-5-16(14)28-19/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,21,24)