ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methoxy-2-oxo-ethyl)-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-(1-oxo-3-phenoxypropyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxy-2-oxoethyl)-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C22H22N2O6S/c1-3-29-21(27)15-9-10-17-18(13-15)31-22(24(17)14-20(26)28-2)23-19(25)11-12-30-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3