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

Systemtic Name: ethyl 4-[2-[2-(prop-2-enylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-3-9-19-17(25)22-18-21-14(11-27-18)10-15(23)20-13-7-5-12(6-8-13)16(24)26-4-2/h3,5-8,11H,1,4,9-10H2,2H3,(H,20,23)(H2,19,21,22,25)