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

Systemtic Name: [2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-oxo-2-[4-(2-phenoxyethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-keto-2-[4-(2-phenoxyethyl)piperazino]ethyl] ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4S/c1-2-8-22-21-23-18(16-30-21)20(27)29-15-19(26)25-11-9-24(10-12-25)13-14-28-17-6-4-3-5-7-17/h2-7,16H,1,8-15H2,(H,22,23)