diethyl 5-azanyl-3-[[2-(prop-2-enylamino)-1,3-thiazol-4-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[2-(prop-2-enylamino)-1,3-thiazol-4-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-[[2-(allylamino)thiazole-4-carbonyl]oxymethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[oxo-[2-(prop-2-enylamino)-4-thiazolyl]methoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[2-(prop-2-enylamino)-1,3-thiazole-4-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 3-[[2-(allylamino)thiazole-4-carbonyl]oxymethyl]-5-amino-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CSC(=N2)NCC=C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CSC(=N2)NCC=C)C(=O)OCC)N

InChI

InChI=1S/C18H21N3O6S2/c1-4-7-20-18-21-11(9-28-18)15(22)27-8-10-12(16(23)25-5-2)14(19)29-13(10)17(24)26-6-3/h4,9H,1,5-8,19H2,2-3H3,(H,20,21)