ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(3-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(3-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-(3-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[oxo-(3-pentoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-2-(3-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-amoxybenzoyl)imino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC(=O)OCC

InChI

InChI=1S/C26H30N2O6S/c1-4-7-8-14-34-20-11-9-10-18(15-20)24(30)27-26-28(17-23(29)32-5-2)21-13-12-19(16-22(21)35-26)25(31)33-6-3/h9-13,15-16H,4-8,14,17H2,1-3H3