methyl 2-[6-acetamido-2-(4-tert-butylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-(4-tert-butylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(4-tert-butylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(4-tert-butylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(4-tert-butylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(4-tert-butylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(C)(C)C)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(C)(C)C)S2)CC(=O)OC

InChI

InChI=1S/C23H25N3O4S/c1-14(27)24-17-10-11-18-19(12-17)31-22(26(18)13-20(28)30-5)25-21(29)15-6-8-16(9-7-15)23(2,3)4/h6-12H,13H2,1-5H3,(H,24,27)