2-[4-[(thiophen-2-ylcarbonylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[(thiophen-2-ylcarbonylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[(thiophene-2-carbonylamino)methyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[[oxo(thiophen-2-yl)methyl]amino]methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(thiophene-2-carbonylamino)methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[(2-thenoylamino)methyl]piperidino]ethyl ester Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)C3=CC=CS3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)C3=CC=CS3)Cl)N

InChI

InChI=1S/C21H26ClN3O4S/c1-28-18-12-17(23)16(22)11-15(18)21(27)29-9-8-25-6-4-14(5-7-25)13-24-20(26)19-3-2-10-30-19/h2-3,10-12,14H,4-9,13,23H2,1H3,(H,24,26)