ethyl 2-azanylidene-3-[2,4-bis(oxidanylidene)-4-phenyl-butanoyl]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-azanylidene-3-[2,4-bis(oxidanylidene)-4-phenyl-butanoyl]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2,4-dioxo-4-phenyl-butanoyl)-2-imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-imino-3-(1,2,4-trioxo-4-phenylbutyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,4-dioxo-4-phenylbutanoyl)-2-imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2,4-diketo-4-phenyl-butanoyl)-2-imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N)S2)C(=O)C(=O)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N)S2)C(=O)C(=O)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H16N2O5S/c1-2-27-19(26)13-8-9-14-17(10-13)28-20(21)22(14)18(25)16(24)11-15(23)12-6-4-3-5-7-12/h3-10,21H,2,11H2,1H3