[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(S1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N2O5S/c1-12-21-18(13-5-3-2-4-6-13)19(28-12)20(24)25-10-17(23)22-14-7-8-15-16(9-14)27-11-26-15/h2-9H,10-11H2,1H3,(H,22,23)