methyl 4-[2-[2-(prop-2-enylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-(prop-2-enylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(allylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[[oxo-(prop-2-enylamino)methyl]amino]-4-thiazolyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(prop-2-enylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(allylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)NCC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)NCC=C

InChI

InChI=1S/C17H18N4O4S/c1-3-8-18-16(24)21-17-20-13(10-26-17)9-14(22)19-12-6-4-11(5-7-12)15(23)25-2/h3-7,10H,1,8-9H2,2H3,(H,19,22)(H2,18,20,21,24)