methyl 2-(4-methyl-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(4-methyl-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(4-methyl-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[4-methyl-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(4-methyl-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(4-methyl-2-valerylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(C=CC=C2S1)C)CC(=O)OC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(C=CC=C2S1)C)CC(=O)OC

InChI

InChI=1S/C16H20N2O3S/c1-4-5-9-13(19)17-16-18(10-14(20)21-3)15-11(2)7-6-8-12(15)22-16/h6-8H,4-5,9-10H2,1-3H3