methyl 2-[4,7-dimethoxy-2-[2-(phenylmethylsulfanyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4,7-dimethoxy-2-[2-(phenylmethylsulfanyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-benzylsulfanylacetyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,7-dimethoxy-2-[1-oxo-2-(phenylmethylthio)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-benzylsulfanylacetyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(benzylthio)acetyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CSCC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CSCC3=CC=CC=C3)N2CC(=O)OC

InChI

InChI=1S/C21H22N2O5S2/c1-26-15-9-10-16(27-2)20-19(15)23(11-18(25)28-3)21(30-20)22-17(24)13-29-12-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3