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

Systemtic Name: ethyl 2-(4-tert-butylphenyl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-tert-butylbenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-tert-butylphenyl)-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-tert-butylbenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-tert-butylbenzoyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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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)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3S2/c1-6-29-22(28)17-9-12-19-20(15-17)31-23(26(19)13-14-30-5)25-21(27)16-7-10-18(11-8-16)24(2,3)4/h7-12,15H,6,13-14H2,1-5H3