ethyl 2-[4-[(2-thiophen-2-ylazepan-1-yl)carbonylamino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[(2-thiophen-2-ylazepan-1-yl)carbonylamino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[2-(2-thienyl)azepane-1-carbonyl]amino]phenyl]acetate CAS Name: 2-[4-[[oxo-(2-thiophen-2-yl-1-azepanyl)methyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(2-thiophen-2-ylazepane-1-carbonyl)amino]phenyl]acetate Traditional Name: 2-[4-[[2-(2-thienyl)azepane-1-carbonyl]amino]phenyl]acetic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)NC(=O)N2CCCCCC2C3=CC=CS3

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)NC(=O)N2CCCCCC2C3=CC=CS3

InChI

InChI=1S/C21H26N2O3S/c1-2-26-20(24)15-16-9-11-17(12-10-16)22-21(25)23-13-5-3-4-7-18(23)19-8-6-14-27-19/h6,8-12,14,18H,2-5,7,13,15H2,1H3,(H,22,25)