ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(4-methylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(4-methylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methoxy-2-oxo-ethyl)-2-(4-methylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[(4-methylphenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxy-2-oxoethyl)-2-(4-methylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-p-toluoylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-4-28-20(26)15-9-10-16-17(11-15)29-21(23(16)12-18(24)27-3)22-19(25)14-7-5-13(2)6-8-14/h5-11H,4,12H2,1-3H3