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

Systemtic Name: methyl 2-[6-ethoxy-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C21H22N2O4S2/c1-3-27-15-9-10-17-18(13-15)29-21(23(17)14-20(25)26-2)22-19(24)11-12-28-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3