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

Systemtic Name: ethyl 2-(3-butoxyphenyl)carbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3-butoxybenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3-butoxyphenyl)-oxomethyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-butoxybenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-butoxybenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CCOCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CCOCC

InChI

InChI=1S/C25H30N2O5S/c1-4-7-14-32-20-10-8-9-18(16-20)23(28)26-25-27(13-15-30-5-2)21-12-11-19(17-22(21)33-25)24(29)31-6-3/h8-12,16-17H,4-7,13-15H2,1-3H3