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

Systemtic Name: ethyl 2-[6-ethoxy-2-(4-ethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(4-ethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OCC)CC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OCC)CC(=O)OCC

InChI

InChI=1S/C22H24N2O5S/c1-4-27-16-9-7-15(8-10-16)21(26)23-22-24(14-20(25)29-6-3)18-12-11-17(28-5-2)13-19(18)30-22/h7-13H,4-6,14H2,1-3H3