methyl 3-[2-(2,6-dimethylphenyl)imino-1,3-thiazepan-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2,6-dimethylphenyl)imino-1,3-thiazepan-3-yl]propanoate Openeye Name: methyl 3-[2-(2,6-dimethylphenyl)imino-1,3-thiazepan-3-yl]propanoate CAS Name: 3-[2-(2,6-dimethylphenyl)imino-1,3-thiazepan-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,6-dimethylphenyl)imino-1,3-thiazepan-3-yl]propanoate Traditional Name: 3-[2-(2,6-dimethylphenyl)imino-1,3-thiazepan-3-yl]propionic acid methyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C2N(CCCCS2)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C2N(CCCCS2)CCC(=O)OC

InChI

InChI=1S/C17H24N2O2S/c1-13-7-6-8-14(2)16(13)18-17-19(10-4-5-12-22-17)11-9-15(20)21-3/h6-8H,4-5,9-12H2,1-3H3