[2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-[1-(4-ethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H24N2O4S MolecularWeight: 388.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2

InChI

InChI=1S/C20H24N2O4S/c1-3-15-4-6-16(7-5-15)14(2)22-18(23)12-26-19(24)8-10-21-20(25)17-9-11-27-13-17/h4-7,9,11,13-14H,3,8,10,12H2,1-2H3,(H,21,25)(H,22,23)