methyl 2-[6-ethoxy-2-(3-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-ethoxy-2-(3-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-(3-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[oxo-(3-phenoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-(3-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(3-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)S2)CC(=O)OC

InChI

InChI=1S/C25H22N2O5S/c1-3-31-19-12-13-21-22(15-19)33-25(27(21)16-23(28)30-2)26-24(29)17-8-7-11-20(14-17)32-18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3