methyl 2-(1,3-benzothiazol-6-ylcarbonylimino)-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(1,3-benzothiazol-6-ylcarbonylimino)-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,3-benzothiazole-6-carbonylimino)-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H17N3O5S2/c1-3-29-18(25)10-24-15-7-5-13(20(27)28-2)9-17(15)31-21(24)23-19(26)12-4-6-14-16(8-12)30-11-22-14/h4-9,11H,3,10H2,1-2H3