methyl 2-[4-ethoxy-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-ethoxy-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-ethoxy-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-ethoxy-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-ethoxy-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(4-ethoxy-2-hydrocinnamoylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)CCC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)CCC3=CC=CC=C3)N2CC(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-3-27-16-10-7-11-17-20(16)23(14-19(25)26-2)21(28-17)22-18(24)13-12-15-8-5-4-6-9-15/h4-11H,3,12-14H2,1-2H3