[2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(3S)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[(3S)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-[(3S)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)N3CCCC(C3)C(=O)N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)N3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C18H20N2O4S/c1-11-13-6-2-3-7-14(13)25-16(11)18(23)24-10-15(21)20-8-4-5-12(9-20)17(19)22/h2-3,6-7,12H,4-5,8-10H2,1H3,(H2,19,22)/t12-/m0/s1