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

Systemtic Name: methyl 2-[2-(2-ethylsulfanylphenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-ethylsulfanylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[2-(ethylthio)phenyl]-oxomethyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-ethylsulfanylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(ethylthio)benzoyl]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:

CCSC1=CC=CC=C1C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CC(=O)OC

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CC(=O)OC

InChI

InChI=1S/C21H22N2O5S2/c1-5-29-16-9-7-6-8-13(16)20(25)22-21-23(12-17(24)28-4)18-14(26-2)10-11-15(27-3)19(18)30-21/h6-11H,5,12H2,1-4H3