(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[(3-methylphenyl)carbonylamino]ethanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)OCCCC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)OCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C18H19NO4S/c1-13-5-2-6-14(11-13)18(22)19-12-17(21)23-9-3-7-15(20)16-8-4-10-24-16/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,19,22)