methyl 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidino]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H25N3O3S2/c1-13-14(2)29-21(19(13)22(27)28-3)24-18(26)12-25-10-8-15(9-11-25)20-23-16-6-4-5-7-17(16)30-20/h4-7,15H,8-12H2,1-3H3,(H,24,26)