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

Systemtic Name: methyl 4-[[2-(5-methylthiophen-2-yl)azepan-1-yl]carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2CCCCCN2C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)C2CCCCCN2C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H24N2O3S/c1-14-7-12-18(26-14)17-6-4-3-5-13-22(17)20(24)21-16-10-8-15(9-11-16)19(23)25-2/h7-12,17H,3-6,13H2,1-2H3,(H,21,24)