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

Systemtic Name: methyl 2-(6-acetamido-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(6-acetamido-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[6-acetamido-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(6-acetamido-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(6-acetamido-2-valerylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-4-5-6-15(22)19-17-20(10-16(23)24-3)13-8-7-12(18-11(2)21)9-14(13)25-17/h7-9H,4-6,10H2,1-3H3,(H,18,21)