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

Systemtic Name: ethyl 2-[4-[[2-(5-methylthiophen-2-yl)azepan-1-yl]carbonylamino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[2-(5-methyl-2-thienyl)azepane-1-carbonyl]amino]phenyl]acetate CAS Name: 2-[4-[[[2-(5-methyl-2-thiophenyl)-1-azepanyl]-oxomethyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino]phenyl]acetate Traditional Name: 2-[4-[[2-(5-methyl-2-thienyl)azepane-1-carbonyl]amino]phenyl]acetic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)NC(=O)N2CCCCCC2C3=CC=C(S3)C

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)NC(=O)N2CCCCCC2C3=CC=C(S3)C

InChI

InChI=1S/C22H28N2O3S/c1-3-27-21(25)15-17-9-11-18(12-10-17)23-22(26)24-14-6-4-5-7-19(24)20-13-8-16(2)28-20/h8-13,19H,3-7,14-15H2,1-2H3,(H,23,26)