[2-oxidanylidene-2-[(4-propoxycarbonylphenyl)amino]ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-propoxycarbonylphenyl)amino]ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-[4-[oxo(propoxy)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-(4-propoxycarbonylanilino)ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C20H18N2O5S/c1-2-9-26-19(24)13-3-6-15(7-4-13)22-18(23)11-27-20(25)14-5-8-16-17(10-14)28-12-21-16/h3-8,10,12H,2,9,11H2,1H3,(H,22,23)