methyl 2-(6-acetamido-2-butanoylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(6-acetamido-2-butanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(6-acetamido-2-butanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[6-acetamido-2-(1-oxobutylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(6-acetamido-2-butanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(6-acetamido-2-butyrylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)NC(=O)C)CC(=O)OC

Isomeric SMILES

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)NC(=O)C)CC(=O)OC

InChI

InChI=1S/C16H19N3O4S/c1-4-5-14(21)18-16-19(9-15(22)23-3)12-7-6-11(17-10(2)20)8-13(12)24-16/h6-8H,4-5,9H2,1-3H3,(H,17,20)