ethyl 3-(2-ethoxyethyl)-2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxyethyl)-2-(4-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[oxo-(4-pentoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxyethyl)-2-(4-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-amoxybenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5S/c1-4-7-8-16-33-21-12-9-19(10-13-21)24(29)27-26-28(15-17-31-5-2)22-14-11-20(18-23(22)34-26)25(30)32-6-3/h9-14,18H,4-8,15-17H2,1-3H3