methyl 2-[2-(4-methylsulfanylphenyl)carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-methylsulfanylphenyl)carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-isopropyl-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(methylthio)phenyl]-oxomethyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-methylsulfanylbenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-isopropyl-2-[4-(methylthio)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-13(2)15-7-10-17-18(11-15)28-21(23(17)12-19(24)26-3)22-20(25)14-5-8-16(27-4)9-6-14/h5-11,13H,12H2,1-4H3