(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C15H13BrN2O4S MolecularWeight: 397.24372

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C15H13BrN2O4S/c1-2-3-17-15-18-11(7-23-15)14(19)20-6-9-4-12-13(5-10(9)16)22-8-21-12/h2,4-5,7H,1,3,6,8H2,(H,17,18)