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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C15H13N3O6S MolecularWeight: 363.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)NC1=NC(=CS1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H13N3O6S/c1-8(19)16-15-18-10(6-25-15)14(21)22-5-13(20)17-9-2-3-11-12(4-9)24-7-23-11/h2-4,6H,5,7H2,1H3,(H,17,20)(H,16,18,19)