ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H18N2O5S/c1-3-22-16(21)15-10(2)18-17(25-15)19-14(20)7-5-11-4-6-12-13(8-11)24-9-23-12/h4,6,8H,3,5,7,9H2,1-2H3,(H,18,19,20)