2-[[5-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[5-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[5-[(1Z)-1-(1,3-benzothiazol-2-ylhydrazinylidene)ethyl]-2-methoxyphenyl]methylthio]acetate IUPAC Name: 2-[[5-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-2-methoxy-benzyl]thio]acetate Formula: C19H18N3O3S2- MolecularWeight: 400.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=CC=CC=C2S1)C3=CC(=C(C=C3)OC)CSCC(=O)[O-]

Isomeric SMILES

C/C(=N/NC1=NC2=CC=CC=C2S1)/C3=CC(=C(C=C3)OC)CSCC(=O)[O-]

InChI

InChI=1S/C19H19N3O3S2/c1-12(21-22-19-20-15-5-3-4-6-17(15)27-19)13-7-8-16(25-2)14(9-13)10-26-11-18(23)24/h3-9H,10-11H2,1-2H3,(H,20,22)(H,23,24)/p-1/b21-12-