[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C17H19N3O3S2/c1-2-8-19-17-20-14(12-25-17)16(22)23-11-15(21)18-9-10-24-13-6-4-3-5-7-13/h2-7,12H,1,8-11H2,(H,18,21)(H,19,20)