[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CCNC(=O)C2=CSC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CCNC(=O)C2=CSC=C2)C

InChI

InChI=1S/C19H21NO4S/c1-12-4-5-15(10-13(12)2)18(22)14(3)24-17(21)6-8-20-19(23)16-7-9-25-11-16/h4-5,7,9-11,14H,6,8H2,1-3H3,(H,20,23)