ethyl 3-[2-(4-ethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(4-ethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-ethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OCC

InChI

InChI=1S/C21H22N2O4S/c1-3-26-16-11-9-15(10-12-16)20(25)22-21-23(14-13-19(24)27-4-2)17-7-5-6-8-18(17)28-21/h5-12H,3-4,13-14H2,1-2H3