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

Systemtic Name: ethyl 3-ethyl-2-(3-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-(3-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[oxo-(3-pentoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-(3-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-amoxybenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-4-7-8-14-30-19-11-9-10-17(15-19)22(27)25-24-26(5-2)20-13-12-18(16-21(20)31-24)23(28)29-6-3/h9-13,15-16H,4-8,14H2,1-3H3