[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

InChI

InChI=1S/C17H18N4O4S/c1-2-8-18-16(24)21-14(22)10-25-15(23)13-11-26-17(20-13)19-9-12-6-4-3-5-7-12/h2-7,11H,1,8-10H2,(H,19,20)(H2,18,21,22,24)