ethyl 2-(4-tert-butylphenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(4-tert-butylphenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-tert-butylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-tert-butylphenyl)-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-tert-butylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-tert-butylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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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(C)(C)C)S2)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-6-27-20(26)15-9-12-17-18(13-15)28-21(24(17)5)23-19(25)14-7-10-16(11-8-14)22(2,3)4/h7-13H,6H2,1-5H3