[4-(1,3-dithiolan-2-yl)phenyl] 3-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-[(3-methylbenzoyl)amino]propanoate CAS Name: 3-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-[(3-methylbenzoyl)amino]propanoate Traditional Name: 3-(m-toluoylamino)propionic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H21NO3S2/c1-14-3-2-4-16(13-14)19(23)21-10-9-18(22)24-17-7-5-15(6-8-17)20-25-11-12-26-20/h2-8,13,20H,9-12H2,1H3,(H,21,23)