ethyl 4-[[2-(5-methylthiophen-2-yl)azepan-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(5-methylthiophen-2-yl)azepan-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(5-methyl-2-thienyl)azepane-1-carbonyl]amino]benzoate CAS Name: 4-[[[2-(5-methyl-2-thiophenyl)-1-azepanyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino]benzoate Traditional Name: 4-[[2-(5-methyl-2-thienyl)azepane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCCCC2C3=CC=C(S3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCCCC2C3=CC=C(S3)C

InChI

InChI=1S/C21H26N2O3S/c1-3-26-20(24)16-9-11-17(12-10-16)22-21(25)23-14-6-4-5-7-18(23)19-13-8-15(2)27-19/h8-13,18H,3-7,14H2,1-2H3,(H,22,25)