[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC(=O)NC2CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC(=O)NC2CC2)C

InChI

InChI=1S/C17H22N2O4S/c1-11-3-6-14(9-12(11)2)24-8-7-16(21)23-10-15(20)19-17(22)18-13-4-5-13/h3,6,9,13H,4-5,7-8,10H2,1-2H3,(H2,18,19,20,22)