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

Systemtic Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoyl-(phenylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoyl-benzyl-amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-(phenylmethyl)amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)propanoyl-benzylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl-benzyl-amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H24N2O5S/c1-3-29-23(28)22-16(2)25-24(32-22)26(14-18-7-5-4-6-8-18)21(27)12-10-17-9-11-19-20(13-17)31-15-30-19/h4-9,11,13H,3,10,12,14-15H2,1-2H3