ethyl 2-[2-(4-tert-butylphenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-tert-butylphenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-tert-butylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-tert-butylphenyl)-oxomethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-tert-butylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-tert-butylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(C)(C)C)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(C)(C)C)S2)CC(=O)OCC

InChI

InChI=1S/C24H28N2O4S/c1-6-29-18-12-13-19-20(14-18)31-23(26(19)15-21(27)30-7-2)25-22(28)16-8-10-17(11-9-16)24(3,4)5/h8-14H,6-7,15H2,1-5H3