(phenylmethyl) 2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]ethanoate Openeye Name: benzyl 2-[[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]amino]acetate CAS Name: 2-[[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]acetate Traditional Name: 2-[[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]amino]acetic acid benzyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO4S/c1-13-10-16(14(2)25-13)17(21)8-9-18(22)20-11-19(23)24-12-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3,(H,20,22)