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

Systemtic Name: methyl 2-(1,3-benzothiazol-2-ylcarbonylimino)-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(1,3-benzothiazole-2-carbonylimino)-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazole-2-carbonylimino)-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,3-benzothiazole-2-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=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

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