methyl 3-[2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H21NO4S2 MolecularWeight: 403.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC2=CC=CC=C2C3SCCS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC2=CC=CC=C2C3SCCS3

InChI

InChI=1S/C20H21NO4S2/c1-13-7-8-14(19(23)24-2)11-16(13)21-18(22)12-25-17-6-4-3-5-15(17)20-26-9-10-27-20/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)