[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-2-(2-thenoylamino)benzoic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H21ClN2O4S/c1-13-4-2-8-23(11-13)18(24)12-27-20(26)15-7-6-14(21)10-16(15)22-19(25)17-5-3-9-28-17/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,22,25)/t13-/m0/s1