methyl 2-[5,7-dimethyl-2-[2-(phenylmethylsulfanyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,7-dimethyl-2-[2-(phenylmethylsulfanyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-benzylsulfanylacetyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[1-oxo-2-(phenylmethylthio)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-benzylsulfanylacetyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(benzylthio)acetyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CC(=O)OC)C

InChI

InChI=1S/C21H22N2O3S2/c1-14-9-15(2)20-17(10-14)23(11-19(25)26-3)21(28-20)22-18(24)13-27-12-16-7-5-4-6-8-16/h4-10H,11-13H2,1-3H3